6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine

C13H27NOS — CID 106808036

IUPAC6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)CC1CCCC1)NC
InChIInChI=1S/C13H27NOS/c1-3-13(14-2)9-6-10-16(15)11-12-7-4-5-8-12/h12-14H,3-11H2,1-2H3
InChIKeyJQWWYHIRWGRYIW-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.70
Rot. Bonds8

About 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine

6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine (PubChem CID 106808036) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine
PubChem CID106808036
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine
SMILESCCC(CCCS(=O)CC1CCCC1)NC
InChIInChI=1S/C13H27NOS/c1-3-13(14-2)9-6-10-16(15)11-12-7-4-5-8-12/h12-14H,3-11H2,1-2H3
InChIKeyJQWWYHIRWGRYIW-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine 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 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine?
The IUPAC name of 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine (CID 106808036) is 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine is CCC(CCCS(=O)CC1CCCC1)NC.
What is the InChIKey of 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine?
The InChIKey is JQWWYHIRWGRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-13(14-2)9-6-10-16(15)11-12-7-4-5-8-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine?
6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine has a molecular weight of 245.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine is sourced from PubChem (CID 106808036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).