N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide

C10H20N2O5S — CID 65309919

IUPACN-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NC(CO)CO
InChIInChI=1S/C10H20N2O5S/c1-18(16,17)12-5-3-2-4-9(12)10(15)11-8(6-13)7-14/h8-9,13-14H,2-7H2,1H3,(H,11,15)
InChIKeyKQJMGFLLFVVWNO-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.73
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide

N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 65309919) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID65309919
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NC(CO)CO
InChIInChI=1S/C10H20N2O5S/c1-18(16,17)12-5-3-2-4-9(12)10(15)11-8(6-13)7-14/h8-9,13-14H,2-7H2,1H3,(H,11,15)
InChIKeyKQJMGFLLFVVWNO-UHFFFAOYSA-N
XLogP-1.73
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
CID 43423217
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
(2R)-1-methylsulfonyl-N-[(2S)-4-morpholin-4-ylbutan-2-yl]piperidine-2-carboxamide
CID 95626517
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86920986
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94808986

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide (CID 65309919) is N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is KQJMGFLLFVVWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-18(16,17)12-5-3-2-4-9(12)10(15)11-8(6-13)7-14/h8-9,13-14H,2-7H2,1H3,(H,11,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of -1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 65309919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).