2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol

C12H22N4O3S — CID 105358033

IUPAC2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1c(S(=O)(=O)N2CCCCC2CCO)c(N)nn1C
InChIInChI=1S/C12H22N4O3S/c1-9-11(12(13)14-15(9)2)20(18,19)16-7-4-3-5-10(16)6-8-17/h10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyMSEUDOVAZOHTRE-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.24
Rot. Bonds4

About 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol

2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 105358033) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
PubChem CID105358033
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1c(S(=O)(=O)N2CCCCC2CCO)c(N)nn1C
InChIInChI=1S/C12H22N4O3S/c1-9-11(12(13)14-15(9)2)20(18,19)16-7-4-3-5-10(16)6-8-17/h10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyMSEUDOVAZOHTRE-UHFFFAOYSA-N
XLogP0.24
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1,3,5-Trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
CID 60957876
1-[1-(1,3,5-Trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol
CID 79538098
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
[1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777074
3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 102859017
3-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 102859130
1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 102955129
4-(3-Methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955313
1,5-Dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 105357888
1,5-Dimethyl-4-piperidin-1-ylsulfonylpyrazol-3-amine
CID 105357924
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105357953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol (CID 105358033) is 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol is Cc1c(S(=O)(=O)N2CCCCC2CCO)c(N)nn1C.
What is the InChIKey of 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is MSEUDOVAZOHTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-11(12(13)14-15(9)2)20(18,19)16-7-4-3-5-10(16)6-8-17/h10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 302.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 105358033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).