N-pentan-3-ylmethanesulfonamide

C6H15NO2S — CID 5157236

IUPACN-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)NS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-6(5-2)7-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyPJNOMQBBLJOORS-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.72
Rot. Bonds4

About N-pentan-3-ylmethanesulfonamide

N-pentan-3-ylmethanesulfonamide (PubChem CID 5157236) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pentan-3-ylmethanesulfonamide
PubChem CID5157236
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)NS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-6(5-2)7-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyPJNOMQBBLJOORS-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-ylmethanesulfonamide?
The IUPAC name of N-pentan-3-ylmethanesulfonamide (CID 5157236) is N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for N-pentan-3-ylmethanesulfonamide is CCC(CC)NS(C)(=O)=O.
What is the InChIKey of N-pentan-3-ylmethanesulfonamide?
The InChIKey is PJNOMQBBLJOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(5-2)7-10(3,8)9/h6-7H,4-5H2,1-3H3.
What are the key properties of N-pentan-3-ylmethanesulfonamide?
N-pentan-3-ylmethanesulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 5157236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).