1-cyclopropylsulfonyl-4-methylsulfonylpiperidine

C9H17NO4S2 — CID 71805701

IUPAC1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H17NO4S2/c1-15(11,12)8-4-6-10(7-5-8)16(13,14)9-2-3-9/h8-9H,2-7H2,1H3
InChIKeyXKOHKHGFXNQCNJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP-0.01
Rot. Bonds3

About 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine

1-cyclopropylsulfonyl-4-methylsulfonylpiperidine (PubChem CID 71805701) has the molecular formula C9H17NO4S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
PubChem CID71805701
Molecular FormulaC9H17NO4S2
Molecular Weight267.37 g/mol
Exact Mass267.06
IUPAC Name1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H17NO4S2/c1-15(11,12)8-4-6-10(7-5-8)16(13,14)9-2-3-9/h8-9H,2-7H2,1H3
InChIKeyXKOHKHGFXNQCNJ-UHFFFAOYSA-N
XLogP-0.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine (CID 71805701) is 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine?
The InChIKey is XKOHKHGFXNQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S2/c1-15(11,12)8-4-6-10(7-5-8)16(13,14)9-2-3-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine?
1-cyclopropylsulfonyl-4-methylsulfonylpiperidine has a molecular weight of 267.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 71805701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).