1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide

C14H28N2O4S — CID 6472564

IUPAC1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(C)(C)CO)CC1
InChIInChI=1S/C14H28N2O4S/c1-4-5-10-21(19,20)16-8-6-12(7-9-16)13(18)15-14(2,3)11-17/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyPNKFCPXWCPHFEA-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.72
Rot. Bonds7

About 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide

1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 6472564) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
PubChem CID6472564
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(C)(C)CO)CC1
InChIInChI=1S/C14H28N2O4S/c1-4-5-10-21(19,20)16-8-6-12(7-9-16)13(18)15-14(2,3)11-17/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyPNKFCPXWCPHFEA-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 103891036
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 56921668
2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
CID 75400468

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide (CID 6472564) is 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NC(C)(C)CO)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is PNKFCPXWCPHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-5-10-21(19,20)16-8-6-12(7-9-16)13(18)15-14(2,3)11-17/h12,17H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6472564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).