1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine

C14H16ClNS2 — CID 62646457

IUPAC1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(Sc1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H16ClNS2/c1-9-6-7-17-13(9)14(10(2)16)18-12-5-3-4-11(15)8-12/h3-8,10,14H,16H2,1-2H3
InChIKeyPXGDGDVCQGTHHI-UHFFFAOYSA-N
MW297.88 g/mol
LogP4.89
Rot. Bonds4

About 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine

1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 62646457) has the molecular formula C14H16ClNS2 and a molecular weight of 297.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID62646457
Molecular FormulaC14H16ClNS2
Molecular Weight297.88 g/mol
Exact Mass297.04
IUPAC Name1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(Sc1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H16ClNS2/c1-9-6-7-17-13(9)14(10(2)16)18-12-5-3-4-11(15)8-12/h3-8,10,14H,16H2,1-2H3
InChIKeyPXGDGDVCQGTHHI-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
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CID 107770385
1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
CID 55248128
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022
2-amino-2-(3-chlorophenyl)sulfanylethanol
CID 117034655
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-chloro-3-(1,1-dimethoxypropan-2-ylsulfanyl)benzene
CID 165440459
2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide
CID 114233336

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine (CID 62646457) is 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine is Cc1ccsc1C(Sc1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is PXGDGDVCQGTHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS2/c1-9-6-7-17-13(9)14(10(2)16)18-12-5-3-4-11(15)8-12/h3-8,10,14H,16H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine?
1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 297.88 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 62646457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).