(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C23H32N2O3S — CID 99719214

IUPAC(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1
InChIInChI=1S/C23H32N2O3S/c1-16-4-6-21(7-5-16)29(27,28)25-8-2-3-20(15-25)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h4-7,17-20H,2-3,8-15H2,1H3,(H,24,26)/t17?,18?,19?,20-,23?/m1/s1
InChIKeyGBJCZVJZHBIBSF-LIPMQLJGSA-N
MW416.59 g/mol
LogP3.48
Rot. Bonds4

About (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 99719214) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID99719214
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1
InChIInChI=1S/C23H32N2O3S/c1-16-4-6-21(7-5-16)29(27,28)25-8-2-3-20(15-25)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h4-7,17-20H,2-3,8-15H2,1H3,(H,24,26)/t17?,18?,19?,20-,23?/m1/s1
InChIKeyGBJCZVJZHBIBSF-LIPMQLJGSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 51075647
N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3230744
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765426
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765425
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941058
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 99719214) is (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)C2)cc1.
What is the InChIKey of (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GBJCZVJZHBIBSF-LIPMQLJGSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-16-4-6-21(7-5-16)29(27,28)25-8-2-3-20(15-25)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h4-7,17-20H,2-3,8-15H2,1H3,(H,24,26)/t17?,18?,19?,20-,23?/m1/s1.
What are the key properties of (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 99719214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).