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

C16H24ClNS — CID 82931115

IUPAC2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
SMILESCNC(CSc1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C16H24ClNS/c1-18-16(13-7-4-2-3-5-8-13)12-19-15-10-6-9-14(17)11-15/h6,9-11,13,16,18H,2-5,7-8,12H2,1H3
InChIKeyXVYZDSMWMZASFD-UHFFFAOYSA-N
MW297.89 g/mol
LogP4.99
Rot. Bonds5

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

2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine (PubChem CID 82931115) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
PubChem CID82931115
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
SMILESCNC(CSc1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C16H24ClNS/c1-18-16(13-7-4-2-3-5-8-13)12-19-15-10-6-9-14(17)11-15/h6,9-11,13,16,18H,2-5,7-8,12H2,1H3
InChIKeyXVYZDSMWMZASFD-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine 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

2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
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-cycloheptyl-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine (CID 82931115) is 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine is CNC(CSc1cccc(Cl)c1)C1CCCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
The InChIKey is XVYZDSMWMZASFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-18-16(13-7-4-2-3-5-8-13)12-19-15-10-6-9-14(17)11-15/h6,9-11,13,16,18H,2-5,7-8,12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine has a molecular weight of 297.89 g/mol, XLogP of 4.99, 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-cycloheptyl-N-methylethanamine is sourced from PubChem (CID 82931115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).