N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine

C14H20BrNOS — CID 64653330

IUPACN-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1ccccc1Br)C1CC1
InChIInChI=1S/C14H20BrNOS/c1-2-9-16-13(11-7-8-11)10-18(17)14-6-4-3-5-12(14)15/h3-6,11,13,16H,2,7-10H2,1H3
InChIKeyVEERNRZYCTVJSX-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.33
Rot. Bonds7

About N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine

N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine (PubChem CID 64653330) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
PubChem CID64653330
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC NameN-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1ccccc1Br)C1CC1
InChIInChI=1S/C14H20BrNOS/c1-2-9-16-13(11-7-8-11)10-18(17)14-6-4-3-5-12(14)15/h3-6,11,13,16H,2,7-10H2,1H3
InChIKeyVEERNRZYCTVJSX-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
CID 113449399
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine (CID 64653330) is N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine is CCCNC(CS(=O)c1ccccc1Br)C1CC1.
What is the InChIKey of N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
The InChIKey is VEERNRZYCTVJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-2-9-16-13(11-7-8-11)10-18(17)14-6-4-3-5-12(14)15/h3-6,11,13,16H,2,7-10H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine has a molecular weight of 330.29 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 64653330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).