(E)-N-tert-butylbut-1-ene-1-sulfonamide

C8H17NO2S — CID 22131293

IUPAC(E)-N-tert-butylbut-1-ene-1-sulfonamide
SMILESCC/C=C/S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-7-12(10,11)9-8(2,3)4/h6-7,9H,5H2,1-4H3/b7-6+
InChIKeyUKUZPAIMSCCQMF-VOTSOKGWSA-N
MW191.30 g/mol
LogP1.63
Rot. Bonds3

About (E)-N-tert-butylbut-1-ene-1-sulfonamide

(E)-N-tert-butylbut-1-ene-1-sulfonamide (PubChem CID 22131293) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (E)-N-tert-butylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-tert-butylbut-1-ene-1-sulfonamide
PubChem CID22131293
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(E)-N-tert-butylbut-1-ene-1-sulfonamide
SMILESCC/C=C/S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-7-12(10,11)9-8(2,3)4/h6-7,9H,5H2,1-4H3/b7-6+
InChIKeyUKUZPAIMSCCQMF-VOTSOKGWSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butylbut-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-tert-butylbut-1-ene-1-sulfonamide (CID 22131293) is (E)-N-tert-butylbut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-tert-butylbut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-tert-butylbut-1-ene-1-sulfonamide is CC/C=C/S(=O)(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butylbut-1-ene-1-sulfonamide?
The InChIKey is UKUZPAIMSCCQMF-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-6-7-12(10,11)9-8(2,3)4/h6-7,9H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-N-tert-butylbut-1-ene-1-sulfonamide?
(E)-N-tert-butylbut-1-ene-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 22131293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).