2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide

C16H30N2O4S — CID 102553532

IUPAC2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCCC(C(C)O)C2)CC1
InChIInChI=1S/C16H30N2O4S/c1-12-5-7-15(8-6-12)17-23(21,22)11-16(20)18-9-3-4-14(10-18)13(2)19/h12-15,17,19H,3-11H2,1-2H3
InChIKeyYUHNYEZGDUKHPG-UHFFFAOYSA-N
MW346.49 g/mol
LogP1.10
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide

2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide (PubChem CID 102553532) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
PubChem CID102553532
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCCC(C(C)O)C2)CC1
InChIInChI=1S/C16H30N2O4S/c1-12-5-7-15(8-6-12)17-23(21,22)11-16(20)18-9-3-4-14(10-18)13(2)19/h12-15,17,19H,3-11H2,1-2H3
InChIKeyYUHNYEZGDUKHPG-UHFFFAOYSA-N
XLogP1.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371560
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
CID 119648333
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
3-[(3S)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropanenitrile
CID 129494785
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
CID 56582574
N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 120507600

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide (CID 102553532) is 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide is CC1CCC(NS(=O)(=O)CC(=O)N2CCCC(C(C)O)C2)CC1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The InChIKey is YUHNYEZGDUKHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-12-5-7-15(8-6-12)17-23(21,22)11-16(20)18-9-3-4-14(10-18)13(2)19/h12-15,17,19H,3-11H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide has a molecular weight of 346.49 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide is sourced from PubChem (CID 102553532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).