5-prop-2-enylsulfonylpentan-1-amine

C8H17NO2S — CID 87785063

IUPAC5-prop-2-enylsulfonylpentan-1-amine
SMILESC=CCS(=O)(=O)CCCCCN
InChIInChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-5-3-4-6-9/h2H,1,3-9H2
InChIKeyJXOHNVIFUQMTKU-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.72
Rot. Bonds7

About 5-prop-2-enylsulfonylpentan-1-amine

5-prop-2-enylsulfonylpentan-1-amine (PubChem CID 87785063) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 5-prop-2-enylsulfonylpentan-1-amine.

Molecular Properties

Compound Name5-prop-2-enylsulfonylpentan-1-amine
PubChem CID87785063
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name5-prop-2-enylsulfonylpentan-1-amine
SMILESC=CCS(=O)(=O)CCCCCN
InChIInChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-5-3-4-6-9/h2H,1,3-9H2
InChIKeyJXOHNVIFUQMTKU-UHFFFAOYSA-N
XLogP0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enylsulfonylhexane
CID 26365912
5-ethylsulfonylpentan-1-amine
CID 54172156
5-butylsulfonylpentan-1-amine
CID 64698649
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
9-methylsulfonylnonan-1-amine
CID 101417644
3-(3-methylbut-2-enylsulfonyl)propan-1-amine
CID 58684962
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
heptadec-16-en-1-amine
CID 15590771

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylsulfonylpentan-1-amine?
The IUPAC name of 5-prop-2-enylsulfonylpentan-1-amine (CID 87785063) is 5-prop-2-enylsulfonylpentan-1-amine.
What is the SMILES notation for 5-prop-2-enylsulfonylpentan-1-amine?
The canonical SMILES for 5-prop-2-enylsulfonylpentan-1-amine is C=CCS(=O)(=O)CCCCCN.
What is the InChIKey of 5-prop-2-enylsulfonylpentan-1-amine?
The InChIKey is JXOHNVIFUQMTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-5-3-4-6-9/h2H,1,3-9H2.
What are the key properties of 5-prop-2-enylsulfonylpentan-1-amine?
5-prop-2-enylsulfonylpentan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylsulfonylpentan-1-amine is sourced from PubChem (CID 87785063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).