N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide

C13H23NOS — CID 115882470

IUPACN-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C)CCC(NC(=O)C2(C)CCCS2)C1
InChIInChI=1S/C13H23NOS/c1-12(2)7-5-10(9-12)14-11(15)13(3)6-4-8-16-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyYIAOFTAJNQFMFL-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.97
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide

N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide (PubChem CID 115882470) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide
PubChem CID115882470
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C)CCC(NC(=O)C2(C)CCCS2)C1
InChIInChI=1S/C13H23NOS/c1-12(2)7-5-10(9-12)14-11(15)13(3)6-4-8-16-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyYIAOFTAJNQFMFL-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methylthiolane-2-carboxamide
CID 80949024
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
2-methyl-N-piperidin-3-ylthiolane-2-carboxamide
CID 81452924
N-(2-aminocyclopropyl)-2-methylthiolane-2-carboxamide
CID 81451810
N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiolane-2-carboxamide
CID 103774266
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
N-methoxy-2-methylthiolane-2-carboxamide
CID 80980317
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
cyclopropyl-(2-methylthiolan-2-yl)methanone
CID 81451765
4-[(2-methylthiolane-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 81451910
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylthiolane-2-carboxamide
CID 113273250
2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
CID 86782613

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide (CID 115882470) is N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide is CC1(C)CCC(NC(=O)C2(C)CCCS2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide?
The InChIKey is YIAOFTAJNQFMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-12(2)7-5-10(9-12)14-11(15)13(3)6-4-8-16-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide?
N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide has a molecular weight of 241.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 115882470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).