1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C19H28N2O4S — CID 92802453

IUPAC1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H28N2O4S/c1-15-5-2-3-6-17(15)14-26(23,24)21-10-8-16(9-11-21)19(22)20-13-18-7-4-12-25-18/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyCLAWYRUXJRMJKK-SFHVURJKSA-N
MW380.51 g/mol
LogP1.83
Rot. Bonds6

About 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 92802453) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID92802453
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C19H28N2O4S/c1-15-5-2-3-6-17(15)14-26(23,24)21-10-8-16(9-11-21)19(22)20-13-18-7-4-12-25-18/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyCLAWYRUXJRMJKK-SFHVURJKSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92802496
1-benzylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 55690454
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
[4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110797601
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 92802453) is 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CLAWYRUXJRMJKK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-5-2-3-6-17(15)14-26(23,24)21-10-8-16(9-11-21)19(22)20-13-18-7-4-12-25-18/h2-3,5-6,16,18H,4,7-14H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92802453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).