N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

C16H22N2O3S2 — CID 6498937

IUPACN-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C16H22N2O3S2/c1-22-14-4-6-15(7-5-14)23(20,21)18-10-8-12(9-11-18)16(19)17-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyUDKYZPSEANBKGY-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.09
Rot. Bonds5

About N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 6498937) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID6498937
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C16H22N2O3S2/c1-22-14-4-6-15(7-5-14)23(20,21)18-10-8-12(9-11-18)16(19)17-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyUDKYZPSEANBKGY-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
1-Benzenesulfonyl-piperidine-4-carboxylic acid (1-methyl-butyl)-amide
CID 3156759
(4-Ethylpiperazin-1-yl)(1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidin-4-yl)methanone
CID 6498885
N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26516405
N-(3-(cyclopropylamino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 8073313
N-cyclopropyl-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide
CID 774645
1-(benzenesulfonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 802615
1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid cyclopropylmethyl-amide
CID 858665
N-allyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 2920725
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456767

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (CID 6498937) is N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UDKYZPSEANBKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-22-14-4-6-15(7-5-14)23(20,21)18-10-8-12(9-11-18)16(19)17-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6498937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).