(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide

C15H29N3O4S — CID 95626517

IUPAC(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide
SMILESC[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C15H29N3O4S/c1-13(6-8-17-9-11-22-12-10-17)16-15(19)14-5-3-4-7-18(14)23(2,20)21/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyCVUCWCLAUKHHKT-UONOGXRCSA-N
MW347.48 g/mol
LogP0.03
Rot. Bonds6

About (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide

(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide (PubChem CID 95626517) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide
PubChem CID95626517
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide
SMILESC[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C15H29N3O4S/c1-13(6-8-17-9-11-22-12-10-17)16-15(19)14-5-3-4-7-18(14)23(2,20)21/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyCVUCWCLAUKHHKT-UONOGXRCSA-N
XLogP0.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
N-(3-methyl-2-morpholin-4-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55526700
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
CID 43423217
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide (CID 95626517) is (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide is C[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide?
The InChIKey is CVUCWCLAUKHHKT-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-13(6-8-17-9-11-22-12-10-17)16-15(19)14-5-3-4-7-18(14)23(2,20)21/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide?
(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 95626517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).