N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine

C16H24BrNOS — CID 104754297

IUPACN-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C16H24BrNOS/c1-2-10-18-16(13-6-3-4-7-13)12-20(19)15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3
InChIKeyUIURMGKMXQFRFQ-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.12
Rot. Bonds7

About N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine

N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine (PubChem CID 104754297) has the molecular formula C16H24BrNOS and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
PubChem CID104754297
Molecular FormulaC16H24BrNOS
Molecular Weight358.35 g/mol
Exact Mass357.08
IUPAC NameN-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C16H24BrNOS/c1-2-10-18-16(13-6-3-4-7-13)12-20(19)15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3
InChIKeyUIURMGKMXQFRFQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.12
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-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449368
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine (CID 104754297) is N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine is CCCNC(CS(=O)c1cccc(Br)c1)C1CCCC1.
What is the InChIKey of N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
The InChIKey is UIURMGKMXQFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNOS/c1-2-10-18-16(13-6-3-4-7-13)12-20(19)15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine has a molecular weight of 358.35 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 104754297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).