(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine

C14H21ClN2S — CID 114237230

IUPAC(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
SMILESCSC1CCN(c2ccc([C@H](C)N)cc2Cl)CC1
InChIInChI=1S/C14H21ClN2S/c1-10(16)11-3-4-14(13(15)9-11)17-7-5-12(18-2)6-8-17/h3-4,9-10,12H,5-8,16H2,1-2H3/t10-/m0/s1
InChIKeyLHVQLZPMCZYURS-JTQLQIEISA-N
MW284.86 g/mol
LogP3.69
Rot. Bonds3

About (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 114237230) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
PubChem CID114237230
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
SMILESCSC1CCN(c2ccc([C@H](C)N)cc2Cl)CC1
InChIInChI=1S/C14H21ClN2S/c1-10(16)11-3-4-14(13(15)9-11)17-7-5-12(18-2)6-8-17/h3-4,9-10,12H,5-8,16H2,1-2H3/t10-/m0/s1
InChIKeyLHVQLZPMCZYURS-JTQLQIEISA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine (CID 114237230) is (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine is CSC1CCN(c2ccc([C@H](C)N)cc2Cl)CC1.
What is the InChIKey of (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is LHVQLZPMCZYURS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-10(16)11-3-4-14(13(15)9-11)17-7-5-12(18-2)6-8-17/h3-4,9-10,12H,5-8,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 284.86 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114237230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).