3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride

C9H19ClN2OS — CID 119428186

IUPAC3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCSCCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-13-6-4-9(12)11-8-3-2-5-10-7-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
InChIKeyYBMUEEREXWGYMX-UHFFFAOYSA-N
MW238.78 g/mol
LogP1.03
Rot. Bonds4

About 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride

3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119428186) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119428186
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCSCCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-13-6-4-9(12)11-8-3-2-5-10-7-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
InChIKeyYBMUEEREXWGYMX-UHFFFAOYSA-N
XLogP1.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
N-piperidin-3-ylpropanamide
CID 3520588
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
CID 104982434
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119424560
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride (CID 119428186) is 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride is CSCCC(=O)NC1CCCNC1.Cl.
What is the InChIKey of 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is YBMUEEREXWGYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-13-6-4-9(12)11-8-3-2-5-10-7-8;/h8,10H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119428186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).