(E)-N,3-dimethylbut-1-ene-1-sulfonamide

C6H13NO2S — CID 164788405

IUPAC(E)-N,3-dimethylbut-1-ene-1-sulfonamide
SMILESCNS(=O)(=O)/C=C/C(C)C
InChIInChI=1S/C6H13NO2S/c1-6(2)4-5-10(8,9)7-3/h4-7H,1-3H3/b5-4+
InChIKeyMHHSJWBLRHBHRK-SNAWJCMRSA-N
MW163.24 g/mol
LogP0.71
Rot. Bonds3

About (E)-N,3-dimethylbut-1-ene-1-sulfonamide

(E)-N,3-dimethylbut-1-ene-1-sulfonamide (PubChem CID 164788405) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (E)-N,3-dimethylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N,3-dimethylbut-1-ene-1-sulfonamide
PubChem CID164788405
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(E)-N,3-dimethylbut-1-ene-1-sulfonamide
SMILESCNS(=O)(=O)/C=C/C(C)C
InChIInChI=1S/C6H13NO2S/c1-6(2)4-5-10(8,9)7-3/h4-7H,1-3H3/b5-4+
InChIKeyMHHSJWBLRHBHRK-SNAWJCMRSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
1-iodo-N-methylethanesulfonamide
CID 137491728
N-methylpropane-2-sulfonothioamide
CID 167163905
4-methylpent-2-ene-1-sulfonic acid
CID 88707577
2-(1H-indol-5-yl)-N-methylethenesulfonamide
CID 54193929
2,4,6-trimethyl-N-[(E)-3-methylbut-1-enyl]benzenesulfonamide
CID 23240622
4-methyl-N,N-di(propan-2-yl)pent-2-en-1-amine
CID 58843354
N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine
CID 142228722
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
4-methylpent-2-ene
CID 12659
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
N-methylsulfamoyl bromide
CID 170980885

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethylbut-1-ene-1-sulfonamide?
The IUPAC name of (E)-N,3-dimethylbut-1-ene-1-sulfonamide (CID 164788405) is (E)-N,3-dimethylbut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N,3-dimethylbut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N,3-dimethylbut-1-ene-1-sulfonamide is CNS(=O)(=O)/C=C/C(C)C.
What is the InChIKey of (E)-N,3-dimethylbut-1-ene-1-sulfonamide?
The InChIKey is MHHSJWBLRHBHRK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)4-5-10(8,9)7-3/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-N,3-dimethylbut-1-ene-1-sulfonamide?
(E)-N,3-dimethylbut-1-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 164788405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).