5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide

C17H21N3OS — CID 97236069

IUPAC5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN[C@H](c2ccccn2)C2CCCC2)c1
InChIInChI=1S/C17H21N3OS/c18-17(21)13-9-14(22-11-13)10-20-16(12-5-1-2-6-12)15-7-3-4-8-19-15/h3-4,7-9,11-12,16,20H,1-2,5-6,10H2,(H2,18,21)/t16-/m0/s1
InChIKeyFLOKENQTQYYJDO-INIZCTEOSA-N
MW315.44 g/mol
LogP3.26
Rot. Bonds6

About 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide

5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 97236069) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
PubChem CID97236069
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN[C@H](c2ccccn2)C2CCCC2)c1
InChIInChI=1S/C17H21N3OS/c18-17(21)13-9-14(22-11-13)10-20-16(12-5-1-2-6-12)15-7-3-4-8-19-15/h3-4,7-9,11-12,16,20H,1-2,5-6,10H2,(H2,18,21)/t16-/m0/s1
InChIKeyFLOKENQTQYYJDO-INIZCTEOSA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide
CID 97236058
5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
CID 115735523
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
N-[cyclopentyl(pyridin-2-yl)methyl]prop-2-yn-1-amine
CID 115898275
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95899171
N-[cyclopentyl(pyridin-2-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71987070
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693

Frequently Asked Questions

What is the IUPAC name of 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide (CID 97236069) is 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CN[C@H](c2ccccn2)C2CCCC2)c1.
What is the InChIKey of 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is FLOKENQTQYYJDO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-17(21)13-9-14(22-11-13)10-20-16(12-5-1-2-6-12)15-7-3-4-8-19-15/h3-4,7-9,11-12,16,20H,1-2,5-6,10H2,(H2,18,21)/t16-/m0/s1.
What are the key properties of 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide?
5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 97236069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).