3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride

C11H23ClN2O3S — CID 119945471

IUPAC3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(CS(C)(=O)=O)NC(=O)C1(C)CCCNC1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-9(7-17(3,15)16)13-10(14)11(2)5-4-6-12-8-11;/h9,12H,4-8H2,1-3H3,(H,13,14);1H
InChIKeyXLKNLWMNYYDITL-UHFFFAOYSA-N
MW298.84 g/mol
LogP0.35
Rot. Bonds4

About 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride

3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119945471) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119945471
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(CS(C)(=O)=O)NC(=O)C1(C)CCCNC1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-9(7-17(3,15)16)13-10(14)11(2)5-4-6-12-8-11;/h9,12H,4-8H2,1-3H3,(H,13,14);1H
InChIKeyXLKNLWMNYYDITL-UHFFFAOYSA-N
XLogP0.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
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CID 63131076
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
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N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946703
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
CID 64642235
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
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CID 81392969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119945471) is 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride is CC(CS(C)(=O)=O)NC(=O)C1(C)CCCNC1.Cl.
What is the InChIKey of 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is XLKNLWMNYYDITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S.ClH/c1-9(7-17(3,15)16)13-10(14)11(2)5-4-6-12-8-11;/h9,12H,4-8H2,1-3H3,(H,13,14);1H.
What are the key properties of 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119945471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).