N-(2-benzyl-3-methylbutyl)methanesulfonamide

C13H21NO2S — CID 91651363

IUPACN-(2-benzyl-3-methylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C13H21NO2S/c1-11(2)13(10-14-17(3,15)16)9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeyGTRVUKWYGFNGST-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.05
Rot. Bonds6

About N-(2-benzyl-3-methylbutyl)methanesulfonamide

N-(2-benzyl-3-methylbutyl)methanesulfonamide (PubChem CID 91651363) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2-benzyl-3-methylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-benzyl-3-methylbutyl)methanesulfonamide
PubChem CID91651363
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2-benzyl-3-methylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C13H21NO2S/c1-11(2)13(10-14-17(3,15)16)9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeyGTRVUKWYGFNGST-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-benzyl-3-methylbutyl]-4-methylsulfonylbenzenesulfonamide
CID 124728851
(2-benzyl-3-methylbutyl)benzene
CID 22277918
N-[(2S)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864282
N-[(2R)-2-benzyl-3-methylbutyl]-1-methylpyrazole-4-sulfonamide
CID 124864281
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
CID 94215480
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
CID 70601747
CID 70601747
2-benzyl-3-methylbutan-1-amine
CID 59900587

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-methylbutyl)methanesulfonamide?
The IUPAC name of N-(2-benzyl-3-methylbutyl)methanesulfonamide (CID 91651363) is N-(2-benzyl-3-methylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2-benzyl-3-methylbutyl)methanesulfonamide?
The canonical SMILES for N-(2-benzyl-3-methylbutyl)methanesulfonamide is CC(C)C(CNS(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-methylbutyl)methanesulfonamide?
The InChIKey is GTRVUKWYGFNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11(2)13(10-14-17(3,15)16)9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3.
What are the key properties of N-(2-benzyl-3-methylbutyl)methanesulfonamide?
N-(2-benzyl-3-methylbutyl)methanesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-methylbutyl)methanesulfonamide is sourced from PubChem (CID 91651363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).