N-(2-ethylbutyl)propane-2-sulfonamide

C9H21NO2S — CID 115613314

IUPACN-(2-ethylbutyl)propane-2-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(6-2)7-10-13(11,12)8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDECLJEDKBQCHQL-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds6

About N-(2-ethylbutyl)propane-2-sulfonamide

N-(2-ethylbutyl)propane-2-sulfonamide (PubChem CID 115613314) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)propane-2-sulfonamide
PubChem CID115613314
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2-ethylbutyl)propane-2-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-5-9(6-2)7-10-13(11,12)8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDECLJEDKBQCHQL-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)propyl]propane-2-sulfonamide
CID 61357181
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529
N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
CID 103834354
3-methyl-4-(propan-2-ylsulfonylamino)butanoic acid
CID 81066190
3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
CID 81065444
methyl 2-iodo-3-(propan-2-ylsulfonylamino)propanoate
CID 103493657
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-(2-amino-2-cyclopropylethyl)propane-2-sulfonamide
CID 63764902
N-(2-amino-2-ethylbutyl)propane-2-sulfonamide
CID 115306044
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)propane-2-sulfonamide?
The IUPAC name of N-(2-ethylbutyl)propane-2-sulfonamide (CID 115613314) is N-(2-ethylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-ethylbutyl)propane-2-sulfonamide is CCC(CC)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-ethylbutyl)propane-2-sulfonamide?
The InChIKey is DECLJEDKBQCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-9(6-2)7-10-13(11,12)8(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(2-ethylbutyl)propane-2-sulfonamide?
N-(2-ethylbutyl)propane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 115613314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).