N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide

C17H21N3OS — CID 100803273

IUPACN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESC[C@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N
InChIInChI=1S/C17H21N3OS/c1-12-5-2-3-9-20(12)15-8-7-13(11-14(15)18)19-17(21)16-6-4-10-22-16/h4,6-8,10-12H,2-3,5,9,18H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyYAPUFVCREIMOGI-LBPRGKRZSA-N
MW315.44 g/mol
LogP3.96
Rot. Bonds3

About N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide

N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 100803273) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID100803273
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
SMILESC[C@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N
InChIInChI=1S/C17H21N3OS/c1-12-5-2-3-9-20(12)15-8-7-13(11-14(15)18)19-17(21)16-6-4-10-22-16/h4,6-8,10-12H,2-3,5,9,18H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyYAPUFVCREIMOGI-LBPRGKRZSA-N
XLogP3.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803366
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429
N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 110219072
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide (CID 100803273) is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide is C[C@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N.
What is the InChIKey of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is YAPUFVCREIMOGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-5-2-3-9-20(12)15-8-7-13(11-14(15)18)19-17(21)16-6-4-10-22-16/h4,6-8,10-12H,2-3,5,9,18H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide?
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 100803273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).