3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine

C12H16BrNOS — CID 64905718

IUPAC3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNOS/c1-8-10(14)6-7-11(8)16(15)12-5-3-2-4-9(12)13/h2-5,8,10-11H,6-7,14H2,1H3
InChIKeyWQVFOBMYUUULNZ-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.68
Rot. Bonds2

About 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine

3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine (PubChem CID 64905718) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine
PubChem CID64905718
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNOS/c1-8-10(14)6-7-11(8)16(15)12-5-3-2-4-9(12)13/h2-5,8,10-11H,6-7,14H2,1H3
InChIKeyWQVFOBMYUUULNZ-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine (CID 64905718) is 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The InChIKey is WQVFOBMYUUULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8-10(14)6-7-11(8)16(15)12-5-3-2-4-9(12)13/h2-5,8,10-11H,6-7,14H2,1H3.
What are the key properties of 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine?
3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64905718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).