2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine

C15H29NOS — CID 64654215

IUPAC2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(=O)C1CCCC1
InChIInChI=1S/C15H29NOS/c1-3-10-16-14-9-8-12(2)11-15(14)18(17)13-6-4-5-7-13/h12-16H,3-11H2,1-2H3
InChIKeyFURVXGATVFYNRF-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.23
Rot. Bonds5

About 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine

2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 64654215) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
PubChem CID64654215
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1S(=O)C1CCCC1
InChIInChI=1S/C15H29NOS/c1-3-10-16-14-9-8-12(2)11-15(14)18(17)13-6-4-5-7-13/h12-16H,3-11H2,1-2H3
InChIKeyFURVXGATVFYNRF-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine (CID 64654215) is 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1S(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is FURVXGATVFYNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-3-10-16-14-9-8-12(2)11-15(14)18(17)13-6-4-5-7-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine?
2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64654215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).