1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine

C13H17ClN2O2S — CID 126807926

IUPAC1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)C=Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O2S/c14-12-4-1-3-11(9-12)6-8-19(17,18)16-7-2-5-13(15)10-16/h1,3-4,6,8-9,13H,2,5,7,10,15H2
InChIKeyVYGLRLGLKWZTMZ-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine

1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine (PubChem CID 126807926) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine
PubChem CID126807926
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)C=Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O2S/c14-12-4-1-3-11(9-12)6-8-19(17,18)16-7-2-5-13(15)10-16/h1,3-4,6,8-9,13H,2,5,7,10,15H2
InChIKeyVYGLRLGLKWZTMZ-UHFFFAOYSA-N
XLogP2.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine?
The IUPAC name of 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine (CID 126807926) is 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine is NC1CCCN(S(=O)(=O)C=Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine?
The InChIKey is VYGLRLGLKWZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-12-4-1-3-11(9-12)6-8-19(17,18)16-7-2-5-13(15)10-16/h1,3-4,6,8-9,13H,2,5,7,10,15H2.
What are the key properties of 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine?
1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine has a molecular weight of 300.81 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethenylsulfonyl]piperidin-3-amine is sourced from PubChem (CID 126807926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).