3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride

C11H20ClNO2S — CID 117266527

IUPAC3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride
SMILESC=C(CC1CCN(C(C)C)CC1)S(=O)(=O)Cl
InChIInChI=1S/C11H20ClNO2S/c1-9(2)13-6-4-11(5-7-13)8-10(3)16(12,14)15/h9,11H,3-8H2,1-2H3
InChIKeyCCDCGPDCJSESHY-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.58
Rot. Bonds4

About 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride

3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride (PubChem CID 117266527) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride
PubChem CID117266527
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride
SMILESC=C(CC1CCN(C(C)C)CC1)S(=O)(=O)Cl
InChIInChI=1S/C11H20ClNO2S/c1-9(2)13-6-4-11(5-7-13)8-10(3)16(12,14)15/h9,11H,3-8H2,1-2H3
InChIKeyCCDCGPDCJSESHY-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
methyl 2-(1-propan-2-ylazepan-4-yl)acetate
CID 174154196
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419
3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
CID 130787512
cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
CID 167284371
2-[(1-methylpiperidin-4-yl)methyl]prop-2-ene-1-sulfonyl chloride
CID 117268391
N-(methylsulfonimidoyl)-1-(1-propan-2-ylpiperidin-4-yl)methanamine
CID 166562016
N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 115574695
(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal
CID 117267482
4-(1-propan-2-ylpiperidin-4-yl)but-2-ynal
CID 117265471

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride (CID 117266527) is 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride is C=C(CC1CCN(C(C)C)CC1)S(=O)(=O)Cl.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride?
The InChIKey is CCDCGPDCJSESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c1-9(2)13-6-4-11(5-7-13)8-10(3)16(12,14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride?
3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride has a molecular weight of 265.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-2-sulfonyl chloride is sourced from PubChem (CID 117266527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).