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

C14H20BrNOS — CID 64659173

IUPACN-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H20BrNOS/c1-2-8-16-14(11-6-7-11)10-18(17)13-5-3-4-12(15)9-13/h3-5,9,11,14,16H,2,6-8,10H2,1H3
InChIKeyAOMNGOLXNABKGC-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.33
Rot. Bonds7

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

N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine (PubChem CID 64659173) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
PubChem CID64659173
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC NameN-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H20BrNOS/c1-2-8-16-14(11-6-7-11)10-18(17)13-5-3-4-12(15)9-13/h3-5,9,11,14,16H,2,6-8,10H2,1H3
InChIKeyAOMNGOLXNABKGC-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-cyclopentylethyl]propan-1-amine
CID 104754297
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)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449368
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine (CID 64659173) is N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine is CCCNC(CS(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
The InChIKey is AOMNGOLXNABKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-2-8-16-14(11-6-7-11)10-18(17)13-5-3-4-12(15)9-13/h3-5,9,11,14,16H,2,6-8,10H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine?
N-[2-(3-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-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 64659173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).