3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine

C15H22BrNS — CID 64906963

IUPAC3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2cccc(Br)c2)C1C
InChIInChI=1S/C15H22BrNS/c1-3-9-17-14-7-8-15(11(14)2)18-13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyIDHVNCMHPSHLON-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.71
Rot. Bonds5

About 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine

3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64906963) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64906963
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2cccc(Br)c2)C1C
InChIInChI=1S/C15H22BrNS/c1-3-9-17-14-7-8-15(11(14)2)18-13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyIDHVNCMHPSHLON-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine (CID 64906963) is 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Sc2cccc(Br)c2)C1C.
What is the InChIKey of 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is IDHVNCMHPSHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-3-9-17-14-7-8-15(11(14)2)18-13-6-4-5-12(16)10-13/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64906963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).