N-butan-2-ylethanesulfonamide

C6H15NO2S — CID 5091177

IUPACN-butan-2-ylethanesulfonamide
SMILESCCC(C)NS(=O)(=O)CC
InChIInChI=1S/C6H15NO2S/c1-4-6(3)7-10(8,9)5-2/h6-7H,4-5H2,1-3H3
InChIKeyIEWCLTGXGCAPBB-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.72
Rot. Bonds4

About N-butan-2-ylethanesulfonamide

N-butan-2-ylethanesulfonamide (PubChem CID 5091177) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-butan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-ylethanesulfonamide
PubChem CID5091177
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-butan-2-ylethanesulfonamide
SMILESCCC(C)NS(=O)(=O)CC
InChIInChI=1S/C6H15NO2S/c1-4-6(3)7-10(8,9)5-2/h6-7H,4-5H2,1-3H3
InChIKeyIEWCLTGXGCAPBB-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
N-butan-2-ylsulfamoyl fluoride
CID 56606599
N-(4-hydroxybutan-2-yl)ethanesulfonamide
CID 78998775
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
(E)-2,3-bis[(2S)-2-(ethylsulfonylamino)propyl]but-2-enedioic acid
CID 126483399
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
N-[2-(butan-2-ylamino)ethyl]ethanesulfonamide
CID 115713390
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylethanesulfonamide?
The IUPAC name of N-butan-2-ylethanesulfonamide (CID 5091177) is N-butan-2-ylethanesulfonamide.
What is the SMILES notation for N-butan-2-ylethanesulfonamide?
The canonical SMILES for N-butan-2-ylethanesulfonamide is CCC(C)NS(=O)(=O)CC.
What is the InChIKey of N-butan-2-ylethanesulfonamide?
The InChIKey is IEWCLTGXGCAPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(3)7-10(8,9)5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of N-butan-2-ylethanesulfonamide?
N-butan-2-ylethanesulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylethanesulfonamide is sourced from PubChem (CID 5091177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).