1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine

C16H20ClNS2 — CID 66145811

IUPAC1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(CSc1cccc(Cl)c1)Cc1ccsc1
InChIInChI=1S/C16H20ClNS2/c1-2-7-18-15(9-13-6-8-19-11-13)12-20-16-5-3-4-14(17)10-16/h3-6,8,10-11,15,18H,2,7,9,12H2,1H3
InChIKeyDEFJMEJTNSXZEW-UHFFFAOYSA-N
MW325.93 g/mol
LogP5.10
Rot. Bonds8

About 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine

1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 66145811) has the molecular formula C16H20ClNS2 and a molecular weight of 325.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
PubChem CID66145811
Molecular FormulaC16H20ClNS2
Molecular Weight325.93 g/mol
Exact Mass325.07
IUPAC Name1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(CSc1cccc(Cl)c1)Cc1ccsc1
InChIInChI=1S/C16H20ClNS2/c1-2-7-18-15(9-13-6-8-19-11-13)12-20-16-5-3-4-14(17)10-16/h3-6,8,10-11,15,18H,2,7,9,12H2,1H3
InChIKeyDEFJMEJTNSXZEW-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.93
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine
CID 66147486
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine (CID 66145811) is 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine is CCCNC(CSc1cccc(Cl)c1)Cc1ccsc1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is DEFJMEJTNSXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS2/c1-2-7-18-15(9-13-6-8-19-11-13)12-20-16-5-3-4-14(17)10-16/h3-6,8,10-11,15,18H,2,7,9,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 325.93 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66145811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).