N-tert-butylbut-1-ene-1-sulfonamide

C8H17NO2S — CID 54358520

IUPACN-tert-butylbut-1-ene-1-sulfonamide
SMILESCCC=CS(=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
InChIKeyUKUZPAIMSCCQMF-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.63
Rot. Bonds3

About N-tert-butylbut-1-ene-1-sulfonamide

N-tert-butylbut-1-ene-1-sulfonamide (PubChem CID 54358520) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-tert-butylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylbut-1-ene-1-sulfonamide
PubChem CID54358520
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-tert-butylbut-1-ene-1-sulfonamide
SMILESCCC=CS(=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
InChIKeyUKUZPAIMSCCQMF-UHFFFAOYSA-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 N-tert-butylbut-1-ene-1-sulfonamide?
The IUPAC name of N-tert-butylbut-1-ene-1-sulfonamide (CID 54358520) is N-tert-butylbut-1-ene-1-sulfonamide.
What is the SMILES notation for N-tert-butylbut-1-ene-1-sulfonamide?
The canonical SMILES for N-tert-butylbut-1-ene-1-sulfonamide is CCC=CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylbut-1-ene-1-sulfonamide?
The InChIKey is UKUZPAIMSCCQMF-UHFFFAOYSA-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.
What are the key properties of N-tert-butylbut-1-ene-1-sulfonamide?
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 N-tert-butylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 54358520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).