N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide

C14H26N2OS — CID 114116236

IUPACN-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCSC1(CNC(=O)CC2CCCN2)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-18-14(7-3-2-4-8-14)11-16-13(17)10-12-6-5-9-15-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyZXSGKDMMGLIEDT-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.31
Rot. Bonds5

About N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 114116236) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID114116236
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCSC1(CNC(=O)CC2CCCN2)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-18-14(7-3-2-4-8-14)11-16-13(17)10-12-6-5-9-15-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyZXSGKDMMGLIEDT-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119805571
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-[(1-ethylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812251
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 113293895
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
N-[(1-ethylcyclopentyl)methyl]-2-piperidin-2-ylacetamide
CID 114125674
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119812139
N-(2-ethyl-2-methylsulfanylbutyl)-2-pyrrolidin-2-ylacetamide
CID 103812569
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 103811357
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113450280

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 114116236) is N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide is CSC1(CNC(=O)CC2CCCN2)CCCCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is ZXSGKDMMGLIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-14(7-3-2-4-8-14)11-16-13(17)10-12-6-5-9-15-12/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 270.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 114116236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).