(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine

C12H17NO2S2 — CID 23297879

IUPAC(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine
SMILESCSC/C=C(\N)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S2/c1-16-9-7-11(13)8-10-17(14,15)12-5-3-2-4-6-12/h2-7H,8-10,13H2,1H3/b11-7-
InChIKeyOHHWGYNKFWXBAI-XFFZJAGNSA-N
MW271.41 g/mol
LogP2.06
Rot. Bonds6

About (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine

(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine (PubChem CID 23297879) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine
PubChem CID23297879
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine
SMILESCSC/C=C(\N)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S2/c1-16-9-7-11(13)8-10-17(14,15)12-5-3-2-4-6-12/h2-7H,8-10,13H2,1H3/b11-7-
InChIKeyOHHWGYNKFWXBAI-XFFZJAGNSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine?
The IUPAC name of (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine (CID 23297879) is (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine.
What is the SMILES notation for (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine?
The canonical SMILES for (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine is CSC/C=C(\N)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine?
The InChIKey is OHHWGYNKFWXBAI-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-16-9-7-11(13)8-10-17(14,15)12-5-3-2-4-6-12/h2-7H,8-10,13H2,1H3/b11-7-.
What are the key properties of (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine?
(Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine has a molecular weight of 271.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(benzenesulfonyl)-1-methylsulfanylpent-2-en-3-amine is sourced from PubChem (CID 23297879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).