(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride

C19H29ClN2O2S — CID 120992573

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2CC3CCCC(C2)C3N)CC(c2ccsc2)O1.Cl
InChIInChI=1S/C19H28N2O2S.ClH/c1-12-9-21(10-17(23-12)15-5-6-24-11-15)19(22)16-7-13-3-2-4-14(8-16)18(13)20;/h5-6,11-14,16-18H,2-4,7-10,20H2,1H3;1H
InChIKeyDFPWUKWYPVZIKT-UHFFFAOYSA-N
MW384.97 g/mol
LogP3.61
Rot. Bonds2

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 120992573) has the molecular formula C19H29ClN2O2S and a molecular weight of 384.97 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
PubChem CID120992573
Molecular FormulaC19H29ClN2O2S
Molecular Weight384.97 g/mol
Exact Mass384.16
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2CC3CCCC(C2)C3N)CC(c2ccsc2)O1.Cl
InChIInChI=1S/C19H28N2O2S.ClH/c1-12-9-21(10-17(23-12)15-5-6-24-11-15)19(22)16-7-13-3-2-4-14(8-16)18(13)20;/h5-6,11-14,16-18H,2-4,7-10,20H2,1H3;1H
InChIKeyDFPWUKWYPVZIKT-UHFFFAOYSA-N
XLogP3.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.97
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124694505
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 125135325
cyclopentyl-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369056
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
CID 119810944
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120987409
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120936041

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride (CID 120992573) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride is CC1CN(C(=O)C2CC3CCCC(C2)C3N)CC(c2ccsc2)O1.Cl.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is DFPWUKWYPVZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S.ClH/c1-12-9-21(10-17(23-12)15-5-6-24-11-15)19(22)16-7-13-3-2-4-14(8-16)18(13)20;/h5-6,11-14,16-18H,2-4,7-10,20H2,1H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 384.97 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120992573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).