N-(2-cyanocyclopentyl)propane-2-sulfinamide

C9H16N2OS — CID 131021137

IUPACN-(2-cyanocyclopentyl)propane-2-sulfinamide
SMILESCC(C)S(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2OS/c1-7(2)13(12)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3
InChIKeyIIXGBJYZOSVYSP-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.34
Rot. Bonds3

About N-(2-cyanocyclopentyl)propane-2-sulfinamide

N-(2-cyanocyclopentyl)propane-2-sulfinamide (PubChem CID 131021137) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)propane-2-sulfinamide
PubChem CID131021137
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(2-cyanocyclopentyl)propane-2-sulfinamide
SMILESCC(C)S(=O)NC1CCCC1C#N
InChIInChI=1S/C9H16N2OS/c1-7(2)13(12)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3
InChIKeyIIXGBJYZOSVYSP-UHFFFAOYSA-N
XLogP1.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)propane-2-sulfinamide?
The IUPAC name of N-(2-cyanocyclopentyl)propane-2-sulfinamide (CID 131021137) is N-(2-cyanocyclopentyl)propane-2-sulfinamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)propane-2-sulfinamide?
The canonical SMILES for N-(2-cyanocyclopentyl)propane-2-sulfinamide is CC(C)S(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)propane-2-sulfinamide?
The InChIKey is IIXGBJYZOSVYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(2)13(12)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3.
What are the key properties of N-(2-cyanocyclopentyl)propane-2-sulfinamide?
N-(2-cyanocyclopentyl)propane-2-sulfinamide has a molecular weight of 200.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)propane-2-sulfinamide is sourced from PubChem (CID 131021137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).