N-ethyl-N-(2-ethylbutyl)methanesulfonamide

C9H21NO2S — CID 60764490

IUPACN-ethyl-N-(2-ethylbutyl)methanesulfonamide
SMILESCCC(CC)CN(CC)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-5-9(6-2)8-10(7-3)13(4,11)12/h9H,5-8H2,1-4H3
InChIKeyMBKXFNWJVOVCDE-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-N-(2-ethylbutyl)methanesulfonamide

N-ethyl-N-(2-ethylbutyl)methanesulfonamide (PubChem CID 60764490) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)methanesulfonamide
PubChem CID60764490
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-ethyl-N-(2-ethylbutyl)methanesulfonamide
SMILESCCC(CC)CN(CC)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-5-9(6-2)8-10(7-3)13(4,11)12/h9H,5-8H2,1-4H3
InChIKeyMBKXFNWJVOVCDE-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N,N-dibutyl-
CID 199294
Methanesulfonamide, N,N-bis(2-ethylhexyl)-
CID 533127
Methylsulphonamide, N-ethyl-N-3-methylbutyl-
CID 20735601
Methylsulphonamide, N-ethyl-N-pentyl-
CID 90181700
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 89877161
N-[(2S)-2-methylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 89877199
N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 129153534
N-[(2R)-2-ethyl-3-methylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 156490454
1-Methanesulfonyl-4-methylpiperidine
CID 706832
1-Methanesulfonyl-4-methylpiperidine
CID 706832
Methylsulphonamide, N-ethyl-N-2-ethylhexyl-
CID 91715482
N,N-diethyl-3-methylpentane-1-sulfonamide
CID 11356480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)methanesulfonamide (CID 60764490) is N-ethyl-N-(2-ethylbutyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)methanesulfonamide is CCC(CC)CN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The InChIKey is MBKXFNWJVOVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-9(6-2)8-10(7-3)13(4,11)12/h9H,5-8H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
N-ethyl-N-(2-ethylbutyl)methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)methanesulfonamide is sourced from PubChem (CID 60764490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).