N-prop-2-enylpentane-1-sulfonamide

C8H17NO2S — CID 87183656

IUPACN-prop-2-enylpentane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CCCCC
InChIInChI=1S/C8H17NO2S/c1-3-5-6-8-12(10,11)9-7-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyGINSIDMLXVEHBY-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds7

About N-prop-2-enylpentane-1-sulfonamide

N-prop-2-enylpentane-1-sulfonamide (PubChem CID 87183656) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-prop-2-enylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enylpentane-1-sulfonamide
PubChem CID87183656
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-prop-2-enylpentane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CCCCC
InChIInChI=1S/C8H17NO2S/c1-3-5-6-8-12(10,11)9-7-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyGINSIDMLXVEHBY-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpentane-1-sulfonamide?
The IUPAC name of N-prop-2-enylpentane-1-sulfonamide (CID 87183656) is N-prop-2-enylpentane-1-sulfonamide.
What is the SMILES notation for N-prop-2-enylpentane-1-sulfonamide?
The canonical SMILES for N-prop-2-enylpentane-1-sulfonamide is C=CCNS(=O)(=O)CCCCC.
What is the InChIKey of N-prop-2-enylpentane-1-sulfonamide?
The InChIKey is GINSIDMLXVEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-5-6-8-12(10,11)9-7-4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of N-prop-2-enylpentane-1-sulfonamide?
N-prop-2-enylpentane-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpentane-1-sulfonamide is sourced from PubChem (CID 87183656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).