N-(3-methylbutan-2-yl)ethenesulfonamide

C7H15NO2S — CID 134386253

IUPACN-(3-methylbutan-2-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C7H15NO2S/c1-5-11(9,10)8-7(4)6(2)3/h5-8H,1H2,2-4H3
InChIKeyIEDJEPUTUHMUJR-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.09
Rot. Bonds4

About N-(3-methylbutan-2-yl)ethenesulfonamide

N-(3-methylbutan-2-yl)ethenesulfonamide (PubChem CID 134386253) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)ethenesulfonamide
PubChem CID134386253
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(3-methylbutan-2-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C7H15NO2S/c1-5-11(9,10)8-7(4)6(2)3/h5-8H,1H2,2-4H3
InChIKeyIEDJEPUTUHMUJR-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropylethene-1-sulfonamide
CID 85885409
(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide
CID 130218574
(E)-2-fluoro-N-propan-2-ylethenesulfonamide
CID 134403173
N-propylethenesulfonamide
CID 19883900
3-methyl-N-propan-2-ylbutane-1-sulfonamide
CID 57749708
N-[(2R)-3-methylbutan-2-yl]ethanesulfonamide
CID 58679591
N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 58679592
N-isopropyl-2-methylpropane-1-sulfonamide
CID 59661278
N-(3-methylbutan-2-yl)methanesulfonamide
CID 59687732
N-(3-methylbutan-2-yl)propane-2-sulfonamide
CID 61362638
N-(3-methylbutan-2-yl)ethanesulfonamide
CID 61362639
N-(3-methylbutan-2-yl)propane-1-sulfonamide
CID 61383974

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)ethenesulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)ethenesulfonamide (CID 134386253) is N-(3-methylbutan-2-yl)ethenesulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)ethenesulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)ethenesulfonamide is C=CS(=O)(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)ethenesulfonamide?
The InChIKey is IEDJEPUTUHMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5-11(9,10)8-7(4)6(2)3/h5-8H,1H2,2-4H3.
What are the key properties of N-(3-methylbutan-2-yl)ethenesulfonamide?
N-(3-methylbutan-2-yl)ethenesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)ethenesulfonamide is sourced from PubChem (CID 134386253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).