2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide

C11H15ClN2OS — CID 115977123

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-5-4-7(16-10)6-14-9-3-1-2-8(9)11(13)15/h4-5,8-9,14H,1-3,6H2,(H2,13,15)
InChIKeyWJXTUEYPGGTVKO-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.15
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide

2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide (PubChem CID 115977123) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
PubChem CID115977123
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-5-4-7(16-10)6-14-9-3-1-2-8(9)11(13)15/h4-5,8-9,14H,1-3,6H2,(H2,13,15)
InChIKeyWJXTUEYPGGTVKO-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977131
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578
2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008089
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
tert-butyl 3-[(5-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107256677
4-[(5-chlorothiophen-2-yl)methylamino]butanamide
CID 60863033
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614830
2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide
CID 11485716
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide (CID 115977123) is 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
The InChIKey is WJXTUEYPGGTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-10-5-4-7(16-10)6-14-9-3-1-2-8(9)11(13)15/h4-5,8-9,14H,1-3,6H2,(H2,13,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 115977123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).