1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide

C11H20N2O3S — CID 115360444

IUPAC1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C11H20N2O3S/c1-2-10(7-12)17(15,16)13-8-11(9-14)5-3-4-6-11/h10,13-14H,2-6,8-9H2,1H3
InChIKeyPWWGMRISGLXSPO-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.76
Rot. Bonds6

About 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide

1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide (PubChem CID 115360444) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
PubChem CID115360444
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C11H20N2O3S/c1-2-10(7-12)17(15,16)13-8-11(9-14)5-3-4-6-11/h10,13-14H,2-6,8-9H2,1H3
InChIKeyPWWGMRISGLXSPO-UHFFFAOYSA-N
XLogP0.76
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
CID 103850553
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
1-[(diethylsulfamoylamino)methyl]-1-(hydroxymethyl)cyclopentane
CID 113294525
1-cyano-N-(1-methylcyclobutyl)propane-1-sulfonamide
CID 115766985
2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid
CID 79846760
2-[(1-ethylcyclopentyl)methylsulfamoyl]butanethioamide
CID 114125521
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
CID 115359528
1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 114083935
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969
1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 112705161
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide (CID 115360444) is 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC1(CO)CCCC1.
What is the InChIKey of 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide?
The InChIKey is PWWGMRISGLXSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-10(7-12)17(15,16)13-8-11(9-14)5-3-4-6-11/h10,13-14H,2-6,8-9H2,1H3.
What are the key properties of 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide?
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 115360444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).