1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine

C14H22ClNS2 — CID 65139957

IUPAC1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNS2/c1-16-11(9-13-7-8-14(15)18-13)10-17-12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3
InChIKeyGGBIEVBASKAZGK-UHFFFAOYSA-N
MW303.92 g/mol
LogP4.60
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine

1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine (PubChem CID 65139957) has the molecular formula C14H22ClNS2 and a molecular weight of 303.92 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
PubChem CID65139957
Molecular FormulaC14H22ClNS2
Molecular Weight303.92 g/mol
Exact Mass303.09
IUPAC Name1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNS2/c1-16-11(9-13-7-8-14(15)18-13)10-17-12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3
InChIKeyGGBIEVBASKAZGK-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375
1-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 65139689
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine (CID 65139957) is 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine is CNC(CSC1CCCCC1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
The InChIKey is GGBIEVBASKAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS2/c1-16-11(9-13-7-8-14(15)18-13)10-17-12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine has a molecular weight of 303.92 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 65139957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).