2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine

C17H26BrNS — CID 64614544

IUPAC2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1Sc1ccccc1Br
InChIInChI=1S/C17H26BrNS/c1-2-13-19-15-10-5-3-4-6-12-17(15)20-16-11-8-7-9-14(16)18/h7-9,11,15,17,19H,2-6,10,12-13H2,1H3
InChIKeyHDAIATNRFUVOPG-UHFFFAOYSA-N
MW356.37 g/mol
LogP5.63
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine

2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine (PubChem CID 64614544) has the molecular formula C17H26BrNS and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
PubChem CID64614544
Molecular FormulaC17H26BrNS
Molecular Weight356.37 g/mol
Exact Mass355.10
IUPAC Name2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1Sc1ccccc1Br
InChIInChI=1S/C17H26BrNS/c1-2-13-19-15-10-5-3-4-6-12-17(15)20-16-11-8-7-9-14(16)18/h7-9,11,15,17,19H,2-6,10,12-13H2,1H3
InChIKeyHDAIATNRFUVOPG-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905759
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine (CID 64614544) is 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine is CCCNC1CCCCCCC1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine?
The InChIKey is HDAIATNRFUVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNS/c1-2-13-19-15-10-5-3-4-6-12-17(15)20-16-11-8-7-9-14(16)18/h7-9,11,15,17,19H,2-6,10,12-13H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine?
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine has a molecular weight of 356.37 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine is sourced from PubChem (CID 64614544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).