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

C12H16BrNOS — CID 64723864

IUPAC3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNOS/c1-14-10-5-6-12(8-10)16(15)11-4-2-3-9(13)7-11/h2-4,7,10,12,14H,5-6,8H2,1H3
InChIKeyNBPANEADIMSZDQ-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.70
Rot. Bonds3

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

3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine (PubChem CID 64723864) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
PubChem CID64723864
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNOS/c1-14-10-5-6-12(8-10)16(15)11-4-2-3-9(13)7-11/h2-4,7,10,12,14H,5-6,8H2,1H3
InChIKeyNBPANEADIMSZDQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine (CID 64723864) is 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine is CNC1CCC(S(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The InChIKey is NBPANEADIMSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-14-10-5-6-12(8-10)16(15)11-4-2-3-9(13)7-11/h2-4,7,10,12,14H,5-6,8H2,1H3.
What are the key properties of 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine?
3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64723864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).