3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine

C14H20BrNS — CID 64905759

IUPAC3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2ccccc2Br)C1C
InChIInChI=1S/C14H20BrNS/c1-3-16-12-8-9-13(10(12)2)17-14-7-5-4-6-11(14)15/h4-7,10,12-13,16H,3,8-9H2,1-2H3
InChIKeyOFBKQXMRKMTQLO-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.32
Rot. Bonds4

About 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine

3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64905759) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID64905759
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2ccccc2Br)C1C
InChIInChI=1S/C14H20BrNS/c1-3-16-12-8-9-13(10(12)2)17-14-7-5-4-6-11(14)15/h4-7,10,12-13,16H,3,8-9H2,1-2H3
InChIKeyOFBKQXMRKMTQLO-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine 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

N-ethyl-2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784132
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine
CID 64906743
N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
CID 64904528
2-(2-bromophenyl)sulfanyl-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64614545
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754
3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906963
1-(2-bromophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396641
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)sulfanylcyclopentan-1-amine
CID 64906337
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
CID 64906327

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine (CID 64905759) is 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(Sc2ccccc2Br)C1C.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is OFBKQXMRKMTQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c1-3-16-12-8-9-13(10(12)2)17-14-7-5-4-6-11(14)15/h4-7,10,12-13,16H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine?
3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 314.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64905759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).