N-ethyl-4-methylpentane-1-sulfonamide

C8H19NO2S — CID 121353244

IUPACN-ethyl-4-methylpentane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCC(C)C
InChIInChI=1S/C8H19NO2S/c1-4-9-12(10,11)7-5-6-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyUXTCAMTUNOTFLG-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds6

About N-ethyl-4-methylpentane-1-sulfonamide

N-ethyl-4-methylpentane-1-sulfonamide (PubChem CID 121353244) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-ethyl-4-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methylpentane-1-sulfonamide
PubChem CID121353244
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-ethyl-4-methylpentane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCC(C)C
InChIInChI=1S/C8H19NO2S/c1-4-9-12(10,11)7-5-6-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyUXTCAMTUNOTFLG-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
4-methyl-N-methylsulfonylpentane-1-sulfonamide
CID 146494424
4-bromo-N-ethylbutane-1-sulfonamide
CID 154346941
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
CID 115889629
N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide
CID 135209172
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylpentane-1-sulfonamide?
The IUPAC name of N-ethyl-4-methylpentane-1-sulfonamide (CID 121353244) is N-ethyl-4-methylpentane-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-methylpentane-1-sulfonamide?
The canonical SMILES for N-ethyl-4-methylpentane-1-sulfonamide is CCNS(=O)(=O)CCCC(C)C.
What is the InChIKey of N-ethyl-4-methylpentane-1-sulfonamide?
The InChIKey is UXTCAMTUNOTFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-9-12(10,11)7-5-6-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methylpentane-1-sulfonamide?
N-ethyl-4-methylpentane-1-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylpentane-1-sulfonamide is sourced from PubChem (CID 121353244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).