N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide

C8H17NO3S — CID 79673093

IUPACN-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC(C)CCO
InChIInChI=1S/C8H17NO3S/c1-3-6-13(11,12)9-7-8(2)4-5-10/h3,8-10H,1,4-7H2,2H3
InChIKeyVKLCBFKVGRQCGZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.11
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide

N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide (PubChem CID 79673093) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide
PubChem CID79673093
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC(C)CCO
InChIInChI=1S/C8H17NO3S/c1-3-6-13(11,12)9-7-8(2)4-5-10/h3,8-10H,1,4-7H2,2H3
InChIKeyVKLCBFKVGRQCGZ-UHFFFAOYSA-N
XLogP0.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide (CID 79673093) is N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCC(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide?
The InChIKey is VKLCBFKVGRQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-6-13(11,12)9-7-8(2)4-5-10/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide?
N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).