N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide

C12H21NO2S — CID 103774266

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2CO)CCCS1
InChIInChI=1S/C12H21NO2S/c1-12(6-3-7-16-12)11(15)13-10-5-2-4-9(10)8-14/h9-10,14H,2-8H2,1H3,(H,13,15)
InChIKeyDBAGWPYHEJMOMK-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.55
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide (PubChem CID 103774266) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide
PubChem CID103774266
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2CO)CCCS1
InChIInChI=1S/C12H21NO2S/c1-12(6-3-7-16-12)11(15)13-10-5-2-4-9(10)8-14/h9-10,14H,2-8H2,1H3,(H,13,15)
InChIKeyDBAGWPYHEJMOMK-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-2-methylthiolane-2-carboxamide
CID 81451810
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
4-[(2-methylthiolane-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 81451910
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
2-amino-2-cyclopropyl-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103821178
1-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopropane-1-carboxamide
CID 103751443
2-methyl-N-piperidin-3-ylthiolane-2-carboxamide
CID 81452924
N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide
CID 81451265
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide (CID 103774266) is N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide is CC1(C(=O)NC2CCCC2CO)CCCS1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide?
The InChIKey is DBAGWPYHEJMOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(6-3-7-16-12)11(15)13-10-5-2-4-9(10)8-14/h9-10,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide has a molecular weight of 243.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 103774266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).