1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide

C12H24N2O4S — CID 43418051

IUPAC1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
SMILESCCC(CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-11(9-15)13-12(16)10-5-7-14(8-6-10)19(17,18)4-2/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyLXBCGWSDQSOIMJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.06
Rot. Bonds6

About 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide (PubChem CID 43418051) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
PubChem CID43418051
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
SMILESCCC(CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-11(9-15)13-12(16)10-5-7-14(8-6-10)19(17,18)4-2/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyLXBCGWSDQSOIMJ-UHFFFAOYSA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-(2-methoxyethyl)-1-(propylsulfonyl)-4-piperidinecarboxamide
CID 6472251
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241542
N-isopropyl-1-(propylsulfonyl)piperidine-4-carboxamide
CID 5095799
N-(sec-butyl)-1-(propylsulfonyl)-4-piperidinecarboxamide
CID 3357583
1-(ethylsulfonyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 17027124
1-ethylsulfonyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]piperidine-3-carboxamide
CID 126836529
1-ethylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 103726127
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 103770227
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 104857887
1-(ethylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 5048225

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide (CID 43418051) is 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide is CCC(CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide?
The InChIKey is LXBCGWSDQSOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-11(9-15)13-12(16)10-5-7-14(8-6-10)19(17,18)4-2/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43418051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).