4-(2-methylpropylsulfonylmethyl)piperidine

C10H21NO2S — CID 71777963

IUPAC4-(2-methylpropylsulfonylmethyl)piperidine
SMILESCC(C)CS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)7-14(12,13)8-10-3-5-11-6-4-10/h9-11H,3-8H2,1-2H3
InChIKeyALISLGDHBBTYKE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.06
Rot. Bonds4

About 4-(2-methylpropylsulfonylmethyl)piperidine

4-(2-methylpropylsulfonylmethyl)piperidine (PubChem CID 71777963) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(2-methylpropylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropylsulfonylmethyl)piperidine
PubChem CID71777963
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(2-methylpropylsulfonylmethyl)piperidine
SMILESCC(C)CS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)7-14(12,13)8-10-3-5-11-6-4-10/h9-11H,3-8H2,1-2H3
InChIKeyALISLGDHBBTYKE-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpropylsulfonylmethyl)piperidine 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 4-(2-methylpropylsulfonylmethyl)piperidine?
The IUPAC name of 4-(2-methylpropylsulfonylmethyl)piperidine (CID 71777963) is 4-(2-methylpropylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(2-methylpropylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(2-methylpropylsulfonylmethyl)piperidine is CC(C)CS(=O)(=O)CC1CCNCC1.
What is the InChIKey of 4-(2-methylpropylsulfonylmethyl)piperidine?
The InChIKey is ALISLGDHBBTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)7-14(12,13)8-10-3-5-11-6-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(2-methylpropylsulfonylmethyl)piperidine?
4-(2-methylpropylsulfonylmethyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfonylmethyl)piperidine is sourced from PubChem (CID 71777963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).