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

C11H20N4O3S — CID 105358382

IUPAC[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
SMILESCc1c(S(=O)(=O)N2CCCCC2CO)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-8-10(11(12)13-14(8)2)19(17,18)15-6-4-3-5-9(15)7-16/h9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDCBHFQNGTVEWNL-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.15
Rot. Bonds3

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

[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol (PubChem CID 105358382) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
PubChem CID105358382
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
SMILESCc1c(S(=O)(=O)N2CCCCC2CO)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-8-10(11(12)13-14(8)2)19(17,18)15-6-4-3-5-9(15)7-16/h9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDCBHFQNGTVEWNL-UHFFFAOYSA-N
XLogP-0.15
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
CID 105359185
2-(2-bromoethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 80671277
2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 105359381
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61410837
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381
1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 63255037
4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56923137
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
CID 43574487

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol (CID 105358382) is [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol is Cc1c(S(=O)(=O)N2CCCCC2CO)c(N)nn1C.
What is the InChIKey of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is DCBHFQNGTVEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-10(11(12)13-14(8)2)19(17,18)15-6-4-3-5-9(15)7-16/h9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol?
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 288.37 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 105358382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).