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

C16H24ClNS — CID 82932393

IUPAC2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H24ClNS/c1-18-15(13-8-4-2-3-5-9-13)12-19-16-11-7-6-10-14(16)17/h6-7,10-11,13,15,18H,2-5,8-9,12H2,1H3
InChIKeyAVSBLHITGPNUED-UHFFFAOYSA-N
MW297.89 g/mol
LogP4.99
Rot. Bonds5

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

2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine (PubChem CID 82932393) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
PubChem CID82932393
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)C1CCCCCC1
InChIInChI=1S/C16H24ClNS/c1-18-15(13-8-4-2-3-5-9-13)12-19-16-11-7-6-10-14(16)17/h6-7,10-11,13,15,18H,2-5,8-9,12H2,1H3
InChIKeyAVSBLHITGPNUED-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

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
2-(2-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740247
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
CID 63517410
[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
CID 105238114

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine (CID 82932393) is 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine is CNC(CSc1ccccc1Cl)C1CCCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
The InChIKey is AVSBLHITGPNUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-18-15(13-8-4-2-3-5-9-13)12-19-16-11-7-6-10-14(16)17/h6-7,10-11,13,15,18H,2-5,8-9,12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine?
2-(2-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-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine is sourced from PubChem (CID 82932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).