N-(1-aminopropan-2-yl)methanesulfonamide

C4H12N2O2S — CID 61123780

IUPACN-(1-aminopropan-2-yl)methanesulfonamide
SMILESCC(CN)NS(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-4(3-5)6-9(2,7)8/h4,6H,3,5H2,1-2H3
InChIKeyCKLOOZOPCAXIGJ-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.12
Rot. Bonds3

About N-(1-aminopropan-2-yl)methanesulfonamide

N-(1-aminopropan-2-yl)methanesulfonamide (PubChem CID 61123780) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)methanesulfonamide
PubChem CID61123780
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-(1-aminopropan-2-yl)methanesulfonamide
SMILESCC(CN)NS(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-4(3-5)6-9(2,7)8/h4,6H,3,5H2,1-2H3
InChIKeyCKLOOZOPCAXIGJ-UHFFFAOYSA-N
XLogP-1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)methanesulfonamide (CID 61123780) is N-(1-aminopropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)methanesulfonamide is CC(CN)NS(C)(=O)=O.
What is the InChIKey of N-(1-aminopropan-2-yl)methanesulfonamide?
The InChIKey is CKLOOZOPCAXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-4(3-5)6-9(2,7)8/h4,6H,3,5H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)methanesulfonamide?
N-(1-aminopropan-2-yl)methanesulfonamide has a molecular weight of 152.22 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)methanesulfonamide is sourced from PubChem (CID 61123780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).