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

C16H20ClNOS — CID 83175758

IUPAC1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1Cl)Cc1ccco1
InChIInChI=1S/C16H20ClNOS/c1-2-9-18-13(11-14-6-5-10-19-14)12-20-16-8-4-3-7-15(16)17/h3-8,10,13,18H,2,9,11-12H2,1H3
InChIKeyHSAJSVJHTPGXCF-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.64
Rot. Bonds8

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

1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine (PubChem CID 83175758) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
PubChem CID83175758
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1Cl)Cc1ccco1
InChIInChI=1S/C16H20ClNOS/c1-2-9-18-13(11-14-6-5-10-19-14)12-20-16-8-4-3-7-15(16)17/h3-8,10,13,18H,2,9,11-12H2,1H3
InChIKeyHSAJSVJHTPGXCF-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83175659
1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
CID 66141176
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine (CID 83175758) is 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine is CCCNC(CSc1ccccc1Cl)Cc1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine?
The InChIKey is HSAJSVJHTPGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-2-9-18-13(11-14-6-5-10-19-14)12-20-16-8-4-3-7-15(16)17/h3-8,10,13,18H,2,9,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine?
1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 83175758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).