2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide

C11H20N2OS — CID 103822247

IUPAC2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NC1CCSC1
InChIInChI=1S/C11H20N2OS/c12-6-8-2-1-3-10(8)11(14)13-9-4-5-15-7-9/h8-10H,1-7,12H2,(H,13,14)
InChIKeyPXORRLBLKYEFEZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.98
Rot. Bonds3

About 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide (PubChem CID 103822247) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide
PubChem CID103822247
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NC1CCSC1
InChIInChI=1S/C11H20N2OS/c12-6-8-2-1-3-10(8)11(14)13-9-4-5-15-7-9/h8-10H,1-7,12H2,(H,13,14)
InChIKeyPXORRLBLKYEFEZ-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103062497
2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295988
trans-(1R,2S)-2-(aminomethyl)-N-(2-methylcyclopropyl)cyclopentane-1-carboxamide
CID 130760150
2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide
CID 114546167
N-[2-(aminomethyl)cyclopentyl]thiolan-3-amine
CID 103062677
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
CID 103063158
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
CID 79401536
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
1-(aminomethyl)-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 103063036
2-(aminomethyl)-N-cyclopropylsulfonylcyclopentane-1-carboxamide
CID 103308242
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide (CID 103822247) is 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide is NCC1CCCC1C(=O)NC1CCSC1.
What is the InChIKey of 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
The InChIKey is PXORRLBLKYEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c12-6-8-2-1-3-10(8)11(14)13-9-4-5-15-7-9/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103822247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).