3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine

C13H18BrNS — CID 64723484

IUPAC3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNS/c1-2-15-11-6-7-13(9-11)16-12-5-3-4-10(14)8-12/h3-5,8,11,13,15H,2,6-7,9H2,1H3
InChIKeyWSTDCLNSRRRCRC-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.07
Rot. Bonds4

About 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine

3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine (PubChem CID 64723484) has the molecular formula C13H18BrNS and a molecular weight of 300.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
PubChem CID64723484
Molecular FormulaC13H18BrNS
Molecular Weight300.26 g/mol
Exact Mass299.03
IUPAC Name3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNS/c1-2-15-11-6-7-13(9-11)16-12-5-3-4-10(14)8-12/h3-5,8,11,13,15H,2,6-7,9H2,1H3
InChIKeyWSTDCLNSRRRCRC-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
CID 64722463
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64723897
3-(3-bromophenyl)sulfanylcyclopentan-1-one
CID 64725068
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
7-(3-bromophenyl)sulfanyl-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64632779
3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906963
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 114122903
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
3-(3-bromophenyl)sulfanylpyrrolidine
CID 62803924
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine (CID 64723484) is 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine is CCNC1CCC(Sc2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine?
The InChIKey is WSTDCLNSRRRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c1-2-15-11-6-7-13(9-11)16-12-5-3-4-10(14)8-12/h3-5,8,11,13,15H,2,6-7,9H2,1H3.
What are the key properties of 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine?
3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine has a molecular weight of 300.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64723484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).