1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide

C10H16N2O2S — CID 115631260

IUPAC1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
SMILESCS(=O)CCNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C10H16N2O2S/c1-15(14)7-6-12-9(13)10(8-11)4-2-3-5-10/h2-7H2,1H3,(H,12,13)
InChIKeyZNBHHZMFVLPPOH-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.57
Rot. Bonds4

About 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide

1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide (PubChem CID 115631260) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
PubChem CID115631260
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
SMILESCS(=O)CCNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C10H16N2O2S/c1-15(14)7-6-12-9(13)10(8-11)4-2-3-5-10/h2-7H2,1H3,(H,12,13)
InChIKeyZNBHHZMFVLPPOH-UHFFFAOYSA-N
XLogP0.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carboxamide
CID 113226383
2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide
CID 118669244
2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide
CID 130266058
4-cyano-4-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 167250279
1-cyano-N-(1-ethylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 31835481
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 47161991
1-cyano-N-(2-methylsulfonylethyl)cyclopentane-1-carboxamide
CID 47381600
1-cyano-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 47384876
1-cyano-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 49067644
1-cyano-N-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxamide
CID 55021432
2-cyano-N-(2-methylsulfonylethyl)pentanamide
CID 55208419
1-cyano-N-[2-(cyclobutylmethylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 56785426

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide (CID 115631260) is 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide is CS(=O)CCNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
The InChIKey is ZNBHHZMFVLPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-15(14)7-6-12-9(13)10(8-11)4-2-3-5-10/h2-7H2,1H3,(H,12,13).
What are the key properties of 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115631260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).