3-prop-2-enylsulfonylpropan-1-amine

C6H13NO2S — CID 58684572

IUPAC3-prop-2-enylsulfonylpropan-1-amine
SMILESC=CCS(=O)(=O)CCCN
InChIInChI=1S/C6H13NO2S/c1-2-5-10(8,9)6-3-4-7/h2H,1,3-7H2
InChIKeyFOCLEQKSTQQFKG-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.06
Rot. Bonds5

About 3-prop-2-enylsulfonylpropan-1-amine

3-prop-2-enylsulfonylpropan-1-amine (PubChem CID 58684572) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-prop-2-enylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-prop-2-enylsulfonylpropan-1-amine
PubChem CID58684572
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-prop-2-enylsulfonylpropan-1-amine
SMILESC=CCS(=O)(=O)CCCN
InChIInChI=1S/C6H13NO2S/c1-2-5-10(8,9)6-3-4-7/h2H,1,3-7H2
InChIKeyFOCLEQKSTQQFKG-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2e)-3-Methanesulfonylprop-2-en-1-amine
CID 15172420
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
3-ethenylsulfonyl-N-fluoropropan-1-amine
CID 53898613
3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
CID 57289545
2-(2-Fluoroprop-2-enylsulfonyl)ethanamine
CID 58684671
3-(2-Fluoroprop-2-enylsulfonyl)propan-1-amine
CID 58685099
3-Aminopropen-2-yl butylsulfone
CID 12356769
N-allyltetrahydro-3-thiophenesulfonamide 1,1-dioxide
CID 3712714
N-ethylprop-2-ene-1-sulfonamide
CID 261059
N-Allylprop-2-ene-1-sulfonamide
CID 15418407

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfonylpropan-1-amine?
The IUPAC name of 3-prop-2-enylsulfonylpropan-1-amine (CID 58684572) is 3-prop-2-enylsulfonylpropan-1-amine.
What is the SMILES notation for 3-prop-2-enylsulfonylpropan-1-amine?
The canonical SMILES for 3-prop-2-enylsulfonylpropan-1-amine is C=CCS(=O)(=O)CCCN.
What is the InChIKey of 3-prop-2-enylsulfonylpropan-1-amine?
The InChIKey is FOCLEQKSTQQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-5-10(8,9)6-3-4-7/h2H,1,3-7H2.
What are the key properties of 3-prop-2-enylsulfonylpropan-1-amine?
3-prop-2-enylsulfonylpropan-1-amine has a molecular weight of 163.24 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfonylpropan-1-amine is sourced from PubChem (CID 58684572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).