N-(1-cyanopropyl)methanesulfonamide

C5H10N2O2S — CID 15467288

IUPACN-(1-cyanopropyl)methanesulfonamide
SMILESCCC(C#N)NS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-3-5(4-6)7-10(2,8)9/h5,7H,3H2,1-2H3
InChIKeyHQCQKBATPZEOMY-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.16
Rot. Bonds3

About N-(1-cyanopropyl)methanesulfonamide

N-(1-cyanopropyl)methanesulfonamide (PubChem CID 15467288) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(1-cyanopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)methanesulfonamide
PubChem CID15467288
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(1-cyanopropyl)methanesulfonamide
SMILESCCC(C#N)NS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-3-5(4-6)7-10(2,8)9/h5,7H,3H2,1-2H3
InChIKeyHQCQKBATPZEOMY-UHFFFAOYSA-N
XLogP-0.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)methanesulfonamide?
The IUPAC name of N-(1-cyanopropyl)methanesulfonamide (CID 15467288) is N-(1-cyanopropyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanopropyl)methanesulfonamide?
The canonical SMILES for N-(1-cyanopropyl)methanesulfonamide is CCC(C#N)NS(C)(=O)=O.
What is the InChIKey of N-(1-cyanopropyl)methanesulfonamide?
The InChIKey is HQCQKBATPZEOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-5(4-6)7-10(2,8)9/h5,7H,3H2,1-2H3.
What are the key properties of N-(1-cyanopropyl)methanesulfonamide?
N-(1-cyanopropyl)methanesulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)methanesulfonamide is sourced from PubChem (CID 15467288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).