2-pentylsulfinyl-4-propylcyclohexan-1-amine

C14H29NOS — CID 107758994

IUPAC2-pentylsulfinyl-4-propylcyclohexan-1-amine
SMILESCCCCCS(=O)C1CC(CCC)CCC1N
InChIInChI=1S/C14H29NOS/c1-3-5-6-10-17(16)14-11-12(7-4-2)8-9-13(14)15/h12-14H,3-11,15H2,1-2H3
InChIKeyLRRVBNWTZPNMFM-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.22
Rot. Bonds7

About 2-pentylsulfinyl-4-propylcyclohexan-1-amine

2-pentylsulfinyl-4-propylcyclohexan-1-amine (PubChem CID 107758994) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-pentylsulfinyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-pentylsulfinyl-4-propylcyclohexan-1-amine
PubChem CID107758994
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-pentylsulfinyl-4-propylcyclohexan-1-amine
SMILESCCCCCS(=O)C1CC(CCC)CCC1N
InChIInChI=1S/C14H29NOS/c1-3-5-6-10-17(16)14-11-12(7-4-2)8-9-13(14)15/h12-14H,3-11,15H2,1-2H3
InChIKeyLRRVBNWTZPNMFM-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylsulfinyl-4-propylcyclohexan-1-amine
CID 64655991
2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651470
2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758936
4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
CID 103290362
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
2-(3-methoxypropylsulfinyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64658421
2-(3,4-dimethylphenyl)sulfinyl-4-propylcyclohexan-1-amine
CID 64659467
(2-pentylsulfinylcycloheptyl)methanamine
CID 107766855
3-butylsulfinyloxan-4-amine
CID 64653727
4-ethyl-2-methylsulfinylcyclohexan-1-amine
CID 64656221

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfinyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-pentylsulfinyl-4-propylcyclohexan-1-amine (CID 107758994) is 2-pentylsulfinyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-pentylsulfinyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-pentylsulfinyl-4-propylcyclohexan-1-amine is CCCCCS(=O)C1CC(CCC)CCC1N.
What is the InChIKey of 2-pentylsulfinyl-4-propylcyclohexan-1-amine?
The InChIKey is LRRVBNWTZPNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-5-6-10-17(16)14-11-12(7-4-2)8-9-13(14)15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 2-pentylsulfinyl-4-propylcyclohexan-1-amine?
2-pentylsulfinyl-4-propylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfinyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 107758994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).