1-propylpiperidine-4-sulfonyl chloride

C8H16ClNO2S — CID 115000336

IUPAC1-propylpiperidine-4-sulfonyl chloride
SMILESCCCN1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-2-5-10-6-3-8(4-7-10)13(9,11)12/h8H,2-7H2,1H3
InChIKeyUOZKPXWJVXWBCR-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.43
Rot. Bonds3

About 1-propylpiperidine-4-sulfonyl chloride

1-propylpiperidine-4-sulfonyl chloride (PubChem CID 115000336) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 1-propylpiperidine-4-sulfonyl chloride.

Molecular Properties

Compound Name1-propylpiperidine-4-sulfonyl chloride
PubChem CID115000336
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name1-propylpiperidine-4-sulfonyl chloride
SMILESCCCN1CCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-2-5-10-6-3-8(4-7-10)13(9,11)12/h8H,2-7H2,1H3
InChIKeyUOZKPXWJVXWBCR-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
4-(aminodiazenyl)-1-propylpiperidine
CID 90208852
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine
CID 99838345
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)butane-1-sulfonamide
CID 116815908
1-propylpiperidine-4-carboxamide
CID 18678413
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
1-propylpiperidine-3-sulfonamide
CID 130991940
3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
CID 54963947
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066

Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidine-4-sulfonyl chloride?
The IUPAC name of 1-propylpiperidine-4-sulfonyl chloride (CID 115000336) is 1-propylpiperidine-4-sulfonyl chloride.
What is the SMILES notation for 1-propylpiperidine-4-sulfonyl chloride?
The canonical SMILES for 1-propylpiperidine-4-sulfonyl chloride is CCCN1CCC(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-propylpiperidine-4-sulfonyl chloride?
The InChIKey is UOZKPXWJVXWBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-2-5-10-6-3-8(4-7-10)13(9,11)12/h8H,2-7H2,1H3.
What are the key properties of 1-propylpiperidine-4-sulfonyl chloride?
1-propylpiperidine-4-sulfonyl chloride has a molecular weight of 225.74 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidine-4-sulfonyl chloride is sourced from PubChem (CID 115000336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).