2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C9H19ClN2OS — CID 119462298

IUPAC2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCSCC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-13-7-9(12)11-6-8-3-2-4-10-5-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
InChIKeyVZFOBZYCUBIISK-UHFFFAOYSA-N
MW238.78 g/mol
LogP0.89
Rot. Bonds4

About 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119462298) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119462298
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCSCC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-13-7-9(12)11-6-8-3-2-4-10-5-8;/h8,10H,2-7H2,1H3,(H,11,12);1H
InChIKeyVZFOBZYCUBIISK-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide
CID 84654985
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 23590439
3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119462298) is 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is CSCC(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is VZFOBZYCUBIISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-13-7-9(12)11-6-8-3-2-4-10-5-8;/h8,10H,2-7H2,1H3,(H,11,12);1H.
What are the key properties of 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).