N-(4-methylsulfinylbutan-2-yl)methanesulfonamide

C6H15NO3S2 — CID 115669267

IUPACN-(4-methylsulfinylbutan-2-yl)methanesulfonamide
SMILESCC(CCS(C)=O)NS(C)(=O)=O
InChIInChI=1S/C6H15NO3S2/c1-6(4-5-11(2)8)7-12(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyZXJLYMVLZDFQOQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.31
Rot. Bonds5

About N-(4-methylsulfinylbutan-2-yl)methanesulfonamide

N-(4-methylsulfinylbutan-2-yl)methanesulfonamide (PubChem CID 115669267) has the molecular formula C6H15NO3S2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)methanesulfonamide
PubChem CID115669267
Molecular FormulaC6H15NO3S2
Molecular Weight213.32 g/mol
Exact Mass213.05
IUPAC NameN-(4-methylsulfinylbutan-2-yl)methanesulfonamide
SMILESCC(CCS(C)=O)NS(C)(=O)=O
InChIInChI=1S/C6H15NO3S2/c1-6(4-5-11(2)8)7-12(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyZXJLYMVLZDFQOQ-UHFFFAOYSA-N
XLogP-0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
2-Amino-3-methylsulfinylpropane-1-thiol
CID 15159721
2-Amino-4-methylsulfinylbutane-1-thiol
CID 44458314
4-Methanesulfonylbutan-2-amine
CID 23562465
3-(Methylsulfonyl)propan-1-amine
CID 21949286
2-Methanesulfonylpropan-1-amine
CID 54446112
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285
1-Methanesulfonylpropan-2-amine hydrochloride
CID 54593155
1-Methanesulfinylpropan-2-amine
CID 58684000
N-[2-(methylsulfanyl)ethyl]methanesulfonamide
CID 59559064

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)methanesulfonamide (CID 115669267) is N-(4-methylsulfinylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)methanesulfonamide is CC(CCS(C)=O)NS(C)(=O)=O.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)methanesulfonamide?
The InChIKey is ZXJLYMVLZDFQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S2/c1-6(4-5-11(2)8)7-12(3,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(4-methylsulfinylbutan-2-yl)methanesulfonamide?
N-(4-methylsulfinylbutan-2-yl)methanesulfonamide has a molecular weight of 213.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 115669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).