(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride

C10H18ClNO2S — CID 117267784

IUPAC(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride
SMILESCN1CCCC(C/C=C\CS(=O)(=O)Cl)C1
InChIInChI=1S/C10H18ClNO2S/c1-12-7-4-6-10(9-12)5-2-3-8-15(11,13)14/h2-3,10H,4-9H2,1H3/b3-2-
InChIKeyOYTMISNCUJTMDB-IHWYPQMZSA-N
MW251.78 g/mol
LogP1.84
Rot. Bonds4

About (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride

(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride (PubChem CID 117267784) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride
PubChem CID117267784
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Name(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride
SMILESCN1CCCC(C/C=C\CS(=O)(=O)Cl)C1
InChIInChI=1S/C10H18ClNO2S/c1-12-7-4-6-10(9-12)5-2-3-8-15(11,13)14/h2-3,10H,4-9H2,1H3/b3-2-
InChIKeyOYTMISNCUJTMDB-IHWYPQMZSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)-4-ethylsulfonylpiperazine
CID 2900166
1-(Cyclohex-3-en-1-ylmethyl)-4-propylsulfonylpiperazine
CID 2902251
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 97160256
4-(5-Methylsulfonylcyclohexa-1,3-dien-1-yl)-1-propylpiperidine
CID 70954592
1-Ethyl-4-(5-methylsulfonylcyclohexa-1,3-dien-1-yl)piperidine
CID 70954634
3-Ethenyl-1-ethylsulfonylpiperidine
CID 88972829
3-(4-Ethenylpiperidin-1-yl)propane-1-sulfonic acid
CID 89203671
4-Cyclohexa-2,5-dien-1-yl-1-propylsulfonylpiperidine
CID 90750988
1-(4-Methylcyclohexa-2,5-dien-1-yl)sulfonylpiperidine
CID 91611076
4-Cyclohexa-2,5-dien-1-yl-1-(2-methylsulfonylethyl)piperidine
CID 123331941
4-Ethenyl-1-ethylsulfonylpiperidine
CID 131105985
3-[(4-Ethenylcyclohexyl)methyl-dimethylazaniumyl]propane-1-sulfonate
CID 140507750

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride (CID 117267784) is (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride is CN1CCCC(C/C=C\CS(=O)(=O)Cl)C1.
What is the InChIKey of (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride?
The InChIKey is OYTMISNCUJTMDB-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H18ClNO2S/c1-12-7-4-6-10(9-12)5-2-3-8-15(11,13)14/h2-3,10H,4-9H2,1H3/b3-2-.
What are the key properties of (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride?
(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride has a molecular weight of 251.78 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 117267784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).