(3R)-1-methylsulfonylpiperidine-3-carboxamide

C7H14N2O3S — CID 92512001

IUPAC(3R)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-3-6(5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m1/s1
InChIKeyLVOQPHJXMOGUGR-ZCFIWIBFSA-N
MW206.27 g/mol
LogP-0.86
Rot. Bonds2

About (3R)-1-methylsulfonylpiperidine-3-carboxamide

(3R)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 92512001) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (3R)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID92512001
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(3R)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-3-6(5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m1/s1
InChIKeyLVOQPHJXMOGUGR-ZCFIWIBFSA-N
XLogP-0.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
1-methylsulfonyl-3-prop-1-en-2-ylpiperidine
CID 145118494
4-amino-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43171434
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-methylsulfonylpiperidine-3-carboxamide (CID 92512001) is (3R)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is LVOQPHJXMOGUGR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-3-6(5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m1/s1.
What are the key properties of (3R)-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 206.27 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92512001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).