1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde

C11H19NO3S — CID 115045620

IUPAC1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde
SMILESO=CC1(S(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H19NO3S/c13-10-11(6-2-1-3-7-11)16(14,15)12-8-4-5-9-12/h10H,1-9H2
InChIKeyDEPTWKWVIYYSMA-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.31
Rot. Bonds3

About 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde

1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde (PubChem CID 115045620) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde
PubChem CID115045620
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde
SMILESO=CC1(S(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H19NO3S/c13-10-11(6-2-1-3-7-11)16(14,15)12-8-4-5-9-12/h10H,1-9H2
InChIKeyDEPTWKWVIYYSMA-UHFFFAOYSA-N
XLogP1.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-piperidin-1-ylsulfonylcyclopentane-1-carbaldehyde
CID 115045621
1-formylcyclopentane-1-sulfonic acid
CID 175344575
1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
CID 115048845
1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
CID 115048528
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
CID 91537889
piperidine-1-sulfonic acid
CID 558632
1-cyclobutylsulfonylpiperidine;methyl formate
CID 142545089
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
1-prop-2-enyl-N-pyrrolidin-1-ylsulfonylcyclobutane-1-carboxamide
CID 146090508
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde
CID 115011343

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde (CID 115045620) is 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde is O=CC1(S(=O)(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde?
The InChIKey is DEPTWKWVIYYSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-10-11(6-2-1-3-7-11)16(14,15)12-8-4-5-9-12/h10H,1-9H2.
What are the key properties of 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde?
1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde has a molecular weight of 245.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 115045620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).