(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride

C9H19ClN2O3S — CID 166001356

IUPAC(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)NC(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-2-6-15(13,14)11-9(12)8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3,(H,11,12);1H/t8-;/m1./s1
InChIKeyBNGLWXLIKUHGQN-DDWIOCJRSA-N
MW270.78 g/mol
LogP0.26
Rot. Bonds4

About (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride

(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 166001356) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID166001356
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Name(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)NC(=O)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-2-6-15(13,14)11-9(12)8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3,(H,11,12);1H/t8-;/m1./s1
InChIKeyBNGLWXLIKUHGQN-DDWIOCJRSA-N
XLogP0.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
CID 119306484
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 119294516
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349

Frequently Asked Questions

What is the IUPAC name of (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride (CID 166001356) is (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride is CCCS(=O)(=O)NC(=O)[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is BNGLWXLIKUHGQN-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-2-6-15(13,14)11-9(12)8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3,(H,11,12);1H/t8-;/m1./s1.
What are the key properties of (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride?
(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 166001356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).