5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine

C16H24BrNS — CID 79862668

IUPAC5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2cccc(Br)c2)CCC1(C)C
InChIInChI=1S/C16H24BrNS/c1-4-10-18-15-14(8-9-16(15,2)3)19-13-7-5-6-12(17)11-13/h5-7,11,14-15,18H,4,8-10H2,1-3H3
InChIKeyRTAJTTPWQWMNGJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.10
Rot. Bonds5

About 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79862668) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79862668
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC Name5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2cccc(Br)c2)CCC1(C)C
InChIInChI=1S/C16H24BrNS/c1-4-10-18-15-14(8-9-16(15,2)3)19-13-7-5-6-12(17)11-13/h5-7,11,14-15,18H,4,8-10H2,1-3H3
InChIKeyRTAJTTPWQWMNGJ-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79862668) is 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(Sc2cccc(Br)c2)CCC1(C)C.
What is the InChIKey of 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is RTAJTTPWQWMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-4-10-18-15-14(8-9-16(15,2)3)19-13-7-5-6-12(17)11-13/h5-7,11,14-15,18H,4,8-10H2,1-3H3.
What are the key properties of 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 342.35 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).