N-(3-methylbutyl)methanesulfonamide

C6H15NO2S — CID 3906059

IUPACN-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCNS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-6(2)4-5-7-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyNWNGSQVTJUFCRS-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.58
Rot. Bonds4

About N-(3-methylbutyl)methanesulfonamide

N-(3-methylbutyl)methanesulfonamide (PubChem CID 3906059) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)methanesulfonamide
PubChem CID3906059
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(3-methylbutyl)methanesulfonamide
SMILESCC(C)CCNS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-6(2)4-5-7-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyNWNGSQVTJUFCRS-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propylmethanesulfonamide
CID 235967
N-isopentylmethanesulfinamide
CID 146684645
N-(2-methylpropyl)methanesulfonamide
CID 4547916
N-pentylmethanesulfonamide
CID 4157176
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
Dimethyl-3-ammoniopropanesulfonate
CID 18424890
Butan-1-aminium methanesulfonate
CID 88442144
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710
N-(4-fluorobutyl)methanesulfonamide
CID 130592989
N-butylmethanesulfonamide
CID 4447312
N-(4-amino-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 66089301
N-(3-fluorobutyl)methanesulfonamide
CID 127016885

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)methanesulfonamide?
The IUPAC name of N-(3-methylbutyl)methanesulfonamide (CID 3906059) is N-(3-methylbutyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylbutyl)methanesulfonamide?
The canonical SMILES for N-(3-methylbutyl)methanesulfonamide is CC(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3-methylbutyl)methanesulfonamide?
The InChIKey is NWNGSQVTJUFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2)4-5-7-10(3,8)9/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(3-methylbutyl)methanesulfonamide?
N-(3-methylbutyl)methanesulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 3906059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).