N-butyl-N-pentan-2-ylmethanesulfonamide

C10H23NO2S — CID 90088597

IUPACN-butyl-N-pentan-2-ylmethanesulfonamide
SMILESCCCCN(C(C)CCC)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-5-7-9-11(14(4,12)13)10(3)8-6-2/h10H,5-9H2,1-4H3
InChIKeyKXNVZKYPJCMRIV-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.24
Rot. Bonds7

About N-butyl-N-pentan-2-ylmethanesulfonamide

N-butyl-N-pentan-2-ylmethanesulfonamide (PubChem CID 90088597) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-butyl-N-pentan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-pentan-2-ylmethanesulfonamide
PubChem CID90088597
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-butyl-N-pentan-2-ylmethanesulfonamide
SMILESCCCCN(C(C)CCC)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-5-7-9-11(14(4,12)13)10(3)8-6-2/h10H,5-9H2,1-4H3
InChIKeyKXNVZKYPJCMRIV-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N,N-dibutyl-
CID 199294
cis-2,6-Dimethyl-1-methyl sulfonyl piperidine
CID 44245252
N,N-Diisopropylmethanesulfonamide
CID 284325
1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
N-cyclohexyl-N-ethylmethanesulfonamide
CID 799015
N-cyclohexyl-N-methylmethanesulfonamide
CID 706834
Methanesulfonamide, N,N-dihexyl-
CID 533126
Methylsulphonamide, N-ethyl-N-butyl-
CID 60643269
Methylsulphonamide, N-ethyl-N-pentyl-
CID 90181700
Methylsulphonamide, N-ethyl-N-hexyl-
CID 91715472
Methylsulphonamide, N-ethyl-N-heptyl-
CID 91715475
2-Ethyl-1-(methylsulfonyl)piperidine
CID 4400374

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-pentan-2-ylmethanesulfonamide?
The IUPAC name of N-butyl-N-pentan-2-ylmethanesulfonamide (CID 90088597) is N-butyl-N-pentan-2-ylmethanesulfonamide.
What is the SMILES notation for N-butyl-N-pentan-2-ylmethanesulfonamide?
The canonical SMILES for N-butyl-N-pentan-2-ylmethanesulfonamide is CCCCN(C(C)CCC)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-pentan-2-ylmethanesulfonamide?
The InChIKey is KXNVZKYPJCMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-7-9-11(14(4,12)13)10(3)8-6-2/h10H,5-9H2,1-4H3.
What are the key properties of N-butyl-N-pentan-2-ylmethanesulfonamide?
N-butyl-N-pentan-2-ylmethanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-pentan-2-ylmethanesulfonamide is sourced from PubChem (CID 90088597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).