N-(2-cyanopropan-2-yl)methanesulfonamide

C5H10N2O2S — CID 10855788

IUPACN-(2-cyanopropan-2-yl)methanesulfonamide
SMILESCC(C)(C#N)NS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-5(2,4-6)7-10(3,8)9/h7H,1-3H3
InChIKeyZKXUNXWGAUQSNM-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.16
Rot. Bonds2

About N-(2-cyanopropan-2-yl)methanesulfonamide

N-(2-cyanopropan-2-yl)methanesulfonamide (PubChem CID 10855788) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)methanesulfonamide
PubChem CID10855788
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(2-cyanopropan-2-yl)methanesulfonamide
SMILESCC(C)(C#N)NS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-5(2,4-6)7-10(3,8)9/h7H,1-3H3
InChIKeyZKXUNXWGAUQSNM-UHFFFAOYSA-N
XLogP-0.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(2-cyanopropan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)methanesulfonamide (CID 10855788) is N-(2-cyanopropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)methanesulfonamide is CC(C)(C#N)NS(C)(=O)=O.
What is the InChIKey of N-(2-cyanopropan-2-yl)methanesulfonamide?
The InChIKey is ZKXUNXWGAUQSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-5(2,4-6)7-10(3,8)9/h7H,1-3H3.
What are the key properties of N-(2-cyanopropan-2-yl)methanesulfonamide?
N-(2-cyanopropan-2-yl)methanesulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)methanesulfonamide is sourced from PubChem (CID 10855788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).