1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide

C13H26N2O5S — CID 103891036

IUPAC1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H26N2O5S/c1-3-13(9-16,10-17)14-12(18)11-5-7-15(8-6-11)21(19,20)4-2/h11,16-17H,3-10H2,1-2H3,(H,14,18)
InChIKeyFPQGKJGWMZFPNM-UHFFFAOYSA-N
MW322.43 g/mol
LogP-0.70
Rot. Bonds7

About 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide (PubChem CID 103891036) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
PubChem CID103891036
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Name1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H26N2O5S/c1-3-13(9-16,10-17)14-12(18)11-5-7-15(8-6-11)21(19,20)4-2/h11,16-17H,3-10H2,1-2H3,(H,14,18)
InChIKeyFPQGKJGWMZFPNM-UHFFFAOYSA-N
XLogP-0.70
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834436
4-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexane-1-carboxamide
CID 107865545
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201732
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357542
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 40516825
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 107845526

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide (CID 103891036) is 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide is CCC(CO)(CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
The InChIKey is FPQGKJGWMZFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-3-13(9-16,10-17)14-12(18)11-5-7-15(8-6-11)21(19,20)4-2/h11,16-17H,3-10H2,1-2H3,(H,14,18).
What are the key properties of 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 103891036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).