2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine

C15H22ClNS — CID 66147681

IUPAC2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
SMILESCNC(CSc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H22ClNS/c1-17-15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(16)10-14/h5,8-10,12,15,17H,2-4,6-7,11H2,1H3
InChIKeyNHMZBRWSDIOOBG-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.60
Rot. Bonds5

About 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine

2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine (PubChem CID 66147681) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
PubChem CID66147681
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
SMILESCNC(CSc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H22ClNS/c1-17-15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(16)10-14/h5,8-10,12,15,17H,2-4,6-7,11H2,1H3
InChIKeyNHMZBRWSDIOOBG-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
2-(3-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740250
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine (CID 66147681) is 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine is CNC(CSc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine?
The InChIKey is NHMZBRWSDIOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-17-15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(16)10-14/h5,8-10,12,15,17H,2-4,6-7,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine?
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine has a molecular weight of 283.87 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 66147681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).