1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine

C14H16ClNOS — CID 83176064

IUPAC1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C14H16ClNOS/c1-16-12(9-13-5-3-7-17-13)10-18-14-6-2-4-11(15)8-14/h2-8,12,16H,9-10H2,1H3
InChIKeyXXRANOGZSMRUQD-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine

1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine (PubChem CID 83176064) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
PubChem CID83176064
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C14H16ClNOS/c1-16-12(9-13-5-3-7-17-13)10-18-14-6-2-4-11(15)8-14/h2-8,12,16H,9-10H2,1H3
InChIKeyXXRANOGZSMRUQD-UHFFFAOYSA-N
XLogP3.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932219
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
1-(3-chlorophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760892
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine (CID 83176064) is 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine is CNC(CSc1cccc(Cl)c1)Cc1ccco1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine?
The InChIKey is XXRANOGZSMRUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-16-12(9-13-5-3-7-17-13)10-18-14-6-2-4-11(15)8-14/h2-8,12,16H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine?
1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 83176064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).