cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide

C12H17ClN2OS — CID 97033065

IUPACcis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C12H17ClN2OS/c1-15(7-8-5-6-11(13)17-8)12(16)9-3-2-4-10(9)14/h5-6,9-10H,2-4,7,14H2,1H3/t9-,10+/m0/s1
InChIKeyAUTQHHQMQOAPAU-VHSXEESVSA-N
MW272.80 g/mol
LogP2.49
Rot. Bonds3

About cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide

cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 97033065) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID97033065
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Namecis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C12H17ClN2OS/c1-15(7-8-5-6-11(13)17-8)12(16)9-3-2-4-10(9)14/h5-6,9-10H,2-4,7,14H2,1H3/t9-,10+/m0/s1
InChIKeyAUTQHHQMQOAPAU-VHSXEESVSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(2-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682653
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682870
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 124510929
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982035
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729303
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894872
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide (CID 97033065) is cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H]1N.
What is the InChIKey of cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is AUTQHHQMQOAPAU-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-15(7-8-5-6-11(13)17-8)12(16)9-3-2-4-10(9)14/h5-6,9-10H,2-4,7,14H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide?
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 97033065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).