(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone

C22H30N4O3S — CID 1090716

IUPAC(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone
SMILESCC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1
InChIInChI=1S/C22H30N4O3S/c1-22(2)12-14-15(13-29-22)19(25-8-10-28-11-9-25)24-20-16(14)17(23)18(30-20)21(27)26-6-4-3-5-7-26/h3-13,23H2,1-2H3
InChIKeyRSWAAMVDMQXIKG-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.19
Rot. Bonds2

About (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone

(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone (PubChem CID 1090716) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone
PubChem CID1090716
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone
SMILESCC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1
InChIInChI=1S/C22H30N4O3S/c1-22(2)12-14-15(13-29-22)19(25-8-10-28-11-9-25)24-20-16(14)17(23)18(30-20)21(27)26-6-4-3-5-7-26/h3-13,23H2,1-2H3
InChIKeyRSWAAMVDMQXIKG-UHFFFAOYSA-N
XLogP3.19
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 630406
1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1097656
9-Amino-5-isopropyl-2,2-dimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-one
CID 931282
Ethyl 1-amino-7-methyl-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
CID 1071980
2-Allyl-3,8,8-trimethyl-8,9-dihydro-2H,6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-one
CID 753338
1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid ethyl ester
CID 658121
2,2,10-Trimethyl-5-morpholin-4-yl-8-phenyl-1,4-dihydro-2H-3-oxa-7-thia-6,11-diaza-benzo[c]fluorene-9-carboxylic acid
CID 1831123
1-amino-N-(4-methoxyphenyl)-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1294912
1-amino-8,8-dimethyl-5-morpholino-N-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 3722012
1-amino-N,N-dibutyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3785801
1-[3-[(4,4-Dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]propyl]pyrrolidin-2-one
CID 11540543
15-Ethyl-4,4-dimethyl-8-morpholin-4-yl-5,14-dioxa-11-thia-9,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
CID 658553

Frequently Asked Questions

What is the IUPAC name of (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone (CID 1090716) is (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone is CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1.
What is the InChIKey of (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone?
The InChIKey is RSWAAMVDMQXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-22(2)12-14-15(13-29-22)19(25-8-10-28-11-9-25)24-20-16(14)17(23)18(30-20)21(27)26-6-4-3-5-7-26/h3-13,23H2,1-2H3.
What are the key properties of (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone?
(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone has a molecular weight of 430.57 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 1090716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).