(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride

C7H16ClNS — CID 169179223

IUPAC(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSC[C@H]1CCCNC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyFXYRYGYEBIUCIU-FJXQXJEOSA-N
MW181.73 g/mol
LogP1.77
Rot. Bonds2

About (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride

(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride (PubChem CID 169179223) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
PubChem CID169179223
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSC[C@H]1CCCNC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyFXYRYGYEBIUCIU-FJXQXJEOSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylsulfanylmethyl)piperidine
CID 22276228
(3R)-3-(methylsulfanylmethyl)pyrrolidine
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3-(2,2-dimethylpropylsulfanylmethyl)piperidine
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piperidin-3-ylmethanamine;trihydrochloride
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3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
S-methyl 2-piperidin-3-ylethanethioate
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2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
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3-(2,2-dimethylpropyl)piperidine
CID 21041533
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
piperidin-3-ylmethanol
CID 161361606
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride?
The IUPAC name of (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride (CID 169179223) is (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride.
What is the SMILES notation for (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride?
The canonical SMILES for (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride is CSC[C@H]1CCCNC1.Cl.
What is the InChIKey of (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride?
The InChIKey is FXYRYGYEBIUCIU-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride?
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 169179223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).