3-(azocan-1-yl)propane-1-sulfonyl chloride

C10H20ClNO2S — CID 112594604

IUPAC3-(azocan-1-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCCCCC1
InChIInChI=1S/C10H20ClNO2S/c11-15(13,14)10-6-9-12-7-4-2-1-3-5-8-12/h1-10H2
InChIKeyNVOVIOQELDFJFR-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds4

About 3-(azocan-1-yl)propane-1-sulfonyl chloride

3-(azocan-1-yl)propane-1-sulfonyl chloride (PubChem CID 112594604) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 3-(azocan-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(azocan-1-yl)propane-1-sulfonyl chloride
PubChem CID112594604
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name3-(azocan-1-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCCCCC1
InChIInChI=1S/C10H20ClNO2S/c11-15(13,14)10-6-9-12-7-4-2-1-3-5-8-12/h1-10H2
InChIKeyNVOVIOQELDFJFR-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(azocan-1-yl)propane-1-sulfonyl chloride 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

3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548987
4-piperidin-1-ylbutane-1-sulfonamide
CID 123535345
3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 112594737
3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 165355086
1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
CID 141053770
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 112594595
3-piperidin-1-ylpropane-1-sulfonate;tetraethylazanium
CID 56973044
lithium 1-octylazepane
CID 22743290
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-(4-chlorobutyl)azepane
CID 22568254
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(azocan-1-yl)propane-1-sulfonyl chloride (CID 112594604) is 3-(azocan-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(azocan-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(azocan-1-yl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)propane-1-sulfonyl chloride?
The InChIKey is NVOVIOQELDFJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c11-15(13,14)10-6-9-12-7-4-2-1-3-5-8-12/h1-10H2.
What are the key properties of 3-(azocan-1-yl)propane-1-sulfonyl chloride?
3-(azocan-1-yl)propane-1-sulfonyl chloride has a molecular weight of 253.79 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).