15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide

C19H19N3O4S — CID 7383473

IUPAC15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
SMILESNc1c(C(=O)NC[C@@H]2CCCO2)sc2nc3cc4c(cc3cc12)OCCO4
InChIInChI=1S/C19H19N3O4S/c20-16-12-6-10-7-14-15(26-5-4-25-14)8-13(10)22-19(12)27-17(16)18(23)21-9-11-2-1-3-24-11/h6-8,11H,1-5,9,20H2,(H,21,23)/t11-/m0/s1
InChIKeyLSVVJOPFGAVROE-NSHDSACASA-N
MW385.45 g/mol
LogP2.71
Rot. Bonds3

About 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide

15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide (PubChem CID 7383473) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide.

Molecular Properties

Compound Name15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
PubChem CID7383473
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
SMILESNc1c(C(=O)NC[C@@H]2CCCO2)sc2nc3cc4c(cc3cc12)OCCO4
InChIInChI=1S/C19H19N3O4S/c20-16-12-6-10-7-14-15(26-5-4-25-14)8-13(10)22-19(12)27-17(16)18(23)21-9-11-2-1-3-24-11/h6-8,11H,1-5,9,20H2,(H,21,23)/t11-/m0/s1
InChIKeyLSVVJOPFGAVROE-NSHDSACASA-N
XLogP2.71
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

15-amino-N-[[(2R)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
CID 7383474
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
1-amino-N-(oxolan-2-ylmethyl)-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 4903390
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792850
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252474

Frequently Asked Questions

What is the IUPAC name of 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide?
The IUPAC name of 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide (CID 7383473) is 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide.
What is the SMILES notation for 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide?
The canonical SMILES for 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide is Nc1c(C(=O)NC[C@@H]2CCCO2)sc2nc3cc4c(cc3cc12)OCCO4.
What is the InChIKey of 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide?
The InChIKey is LSVVJOPFGAVROE-NSHDSACASA-N. The full InChI is InChI=1S/C19H19N3O4S/c20-16-12-6-10-7-14-15(26-5-4-25-14)8-13(10)22-19(12)27-17(16)18(23)21-9-11-2-1-3-24-11/h6-8,11H,1-5,9,20H2,(H,21,23)/t11-/m0/s1.
What are the key properties of 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide?
15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-N-[[(2S)-oxolan-2-yl]methyl]-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide is sourced from PubChem (CID 7383473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).