N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide

C14H17ClN2OS — CID 141172259

IUPACN-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NC1[C@H]2CC3C[C@H]1CN(C3)C2)c1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2OS/c15-12-2-1-11(19-12)14(18)16-13-9-3-8-4-10(13)7-17(5-8)6-9/h1-2,8-10,13H,3-7H2,(H,16,18)/t8?,9-,10-,13?/m0/s1
InChIKeyBAWUVWGAMPAQSX-XWDDTNKTSA-N
MW296.82 g/mol
LogP2.47
Rot. Bonds2

About N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide

N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide (PubChem CID 141172259) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
PubChem CID141172259
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NC1[C@H]2CC3C[C@H]1CN(C3)C2)c1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2OS/c15-12-2-1-11(19-12)14(18)16-13-9-3-8-4-10(13)7-17(5-8)6-9/h1-2,8-10,13H,3-7H2,(H,16,18)/t8?,9-,10-,13?/m0/s1
InChIKeyBAWUVWGAMPAQSX-XWDDTNKTSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide
CID 53234404
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
CID 141172233
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
CID 141172267
N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
CID 67152116
N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
CID 22350872
N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-pyridin-2-ylthiophene-2-carboxamide
CID 53235241
(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 90721203
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210062
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
CID 141172253
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide (CID 141172259) is N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide is O=C(NC1[C@H]2CC3C[C@H]1CN(C3)C2)c1ccc(Cl)s1.
What is the InChIKey of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide?
The InChIKey is BAWUVWGAMPAQSX-XWDDTNKTSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-12-2-1-11(19-12)14(18)16-13-9-3-8-4-10(13)7-17(5-8)6-9/h1-2,8-10,13H,3-7H2,(H,16,18)/t8?,9-,10-,13?/m0/s1.
What are the key properties of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide?
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide has a molecular weight of 296.82 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 141172259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).