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

C13H25ClN2O3S — CID 119324783

IUPACN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C(=O)C1CCCNC1)C1CC1.Cl
InChIInChI=1S/C13H24N2O3S.ClH/c1-10(9-19(2,17)18)15(12-5-6-12)13(16)11-4-3-7-14-8-11;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyNSUHEUKWPZCSLN-UHFFFAOYSA-N
MW324.87 g/mol
LogP0.83
Rot. Bonds5

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

N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119324783) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119324783
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C(=O)C1CCCNC1)C1CC1.Cl
InChIInChI=1S/C13H24N2O3S.ClH/c1-10(9-19(2,17)18)15(12-5-6-12)13(16)11-4-3-7-14-8-11;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyNSUHEUKWPZCSLN-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
CID 119785662
N-cyclopentyl-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119291422
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785653
cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125150837
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N,N-diethylpiperidine-3-carboxamide
CID 18793
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
CID 119297631
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride
CID 119785647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119324783) is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride is CC(CS(C)(=O)=O)N(C(=O)C1CCCNC1)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is NSUHEUKWPZCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S.ClH/c1-10(9-19(2,17)18)15(12-5-6-12)13(16)11-4-3-7-14-8-11;/h10-12,14H,3-9H2,1-2H3;1H.
What are the key properties of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride?
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 324.87 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119324783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).