(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride

C9H16ClNO2S — CID 117265916

IUPAC(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESCN1CCCCC1C/C=C\S(=O)(=O)Cl
InChIInChI=1S/C9H16ClNO2S/c1-11-7-3-2-5-9(11)6-4-8-14(10,12)13/h4,8-9H,2-3,5-7H2,1H3/b8-4-
InChIKeyJMJRZBYTINMGBS-YWEYNIOJSA-N
MW237.75 g/mol
LogP1.94
Rot. Bonds3

About (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride

(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265916) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265916
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESCN1CCCCC1C/C=C\S(=O)(=O)Cl
InChIInChI=1S/C9H16ClNO2S/c1-11-7-3-2-5-9(11)6-4-8-14(10,12)13/h4,8-9H,2-3,5-7H2,1H3/b8-4-
InChIKeyJMJRZBYTINMGBS-YWEYNIOJSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-2-pent-2-enylpiperidine
CID 175484811
(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal
CID 117267742
(Z)-5-(1-methylpiperidin-2-yl)pent-3-en-1-ol
CID 117267735
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
CID 127010204
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine
CID 95304459
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride (CID 117265916) is (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride is CN1CCCCC1C/C=C\S(=O)(=O)Cl.
What is the InChIKey of (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is JMJRZBYTINMGBS-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-11-7-3-2-5-9(11)6-4-8-14(10,12)13/h4,8-9H,2-3,5-7H2,1H3/b8-4-.
What are the key properties of (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 237.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).