N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide

C10H19NOS — CID 115167537

IUPACN-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
SMILESCN(CCC1CCCC1)C(=O)CS
InChIInChI=1S/C10H19NOS/c1-11(10(12)8-13)7-6-9-4-2-3-5-9/h9,13H,2-8H2,1H3
InChIKeyXBNPZOSBQDRNAJ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.95
Rot. Bonds4

About N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide

N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide (PubChem CID 115167537) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
PubChem CID115167537
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
SMILESCN(CCC1CCCC1)C(=O)CS
InChIInChI=1S/C10H19NOS/c1-11(10(12)8-13)7-6-9-4-2-3-5-9/h9,13H,2-8H2,1H3
InChIKeyXBNPZOSBQDRNAJ-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
2-cyclobutylethyl(methyl)carbamothioic S-acid
CID 115170497
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
1-(2-cyclobutylethyl)-1-methylurea
CID 115168733
1,3-bis(2-cyclopentylethyl)-1,3-dimethylthiourea
CID 18716766
3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164079
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide?
The IUPAC name of N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide (CID 115167537) is N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide?
The canonical SMILES for N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide is CN(CCC1CCCC1)C(=O)CS.
What is the InChIKey of N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide?
The InChIKey is XBNPZOSBQDRNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-11(10(12)8-13)7-6-9-4-2-3-5-9/h9,13H,2-8H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide?
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide has a molecular weight of 201.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide is sourced from PubChem (CID 115167537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).