N-(3-hydroxypentan-2-yl)methanesulfonamide

C6H15NO3S — CID 131228014

IUPACN-(3-hydroxypentan-2-yl)methanesulfonamide
SMILESCCC(O)C(C)NS(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-6(8)5(2)7-11(3,9)10/h5-8H,4H2,1-3H3
InChIKeyWGJAYLUCWNRPIQ-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.31
Rot. Bonds4

About N-(3-hydroxypentan-2-yl)methanesulfonamide

N-(3-hydroxypentan-2-yl)methanesulfonamide (PubChem CID 131228014) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(3-hydroxypentan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypentan-2-yl)methanesulfonamide
PubChem CID131228014
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(3-hydroxypentan-2-yl)methanesulfonamide
SMILESCCC(O)C(C)NS(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-6(8)5(2)7-11(3,9)10/h5-8H,4H2,1-3H3
InChIKeyWGJAYLUCWNRPIQ-UHFFFAOYSA-N
XLogP-0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-hydroxypentan-2-yl)methanesulfonamide (CID 131228014) is N-(3-hydroxypentan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxypentan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxypentan-2-yl)methanesulfonamide is CCC(O)C(C)NS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxypentan-2-yl)methanesulfonamide?
The InChIKey is WGJAYLUCWNRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-6(8)5(2)7-11(3,9)10/h5-8H,4H2,1-3H3.
What are the key properties of N-(3-hydroxypentan-2-yl)methanesulfonamide?
N-(3-hydroxypentan-2-yl)methanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentan-2-yl)methanesulfonamide is sourced from PubChem (CID 131228014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).