[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol

C9H16N4O3S — CID 129496204

IUPAC[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
SMILESCS(=O)(=O)N1CCC[C@@H](n2cc(CO)nn2)C1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)12-4-2-3-9(6-12)13-5-8(7-14)10-11-13/h5,9,14H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeySRKCYNHJVZNMFE-SECBINFHSA-N
MW260.32 g/mol
LogP-0.63
Rot. Bonds3

About [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol

[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol (PubChem CID 129496204) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
PubChem CID129496204
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
SMILESCS(=O)(=O)N1CCC[C@@H](n2cc(CO)nn2)C1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)12-4-2-3-9(6-12)13-5-8(7-14)10-11-13/h5,9,14H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeySRKCYNHJVZNMFE-SECBINFHSA-N
XLogP-0.63
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
CID 121208761
1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
CID 31191778
[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493695
2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
CID 154837451
[1-(azetidin-3-yl)triazol-4-yl]methanol
CID 75485535
[1-(thietan-3-yl)triazol-4-yl]methanol
CID 129452279
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]triazole-4-carboxylic acid
CID 146134344
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol (CID 129496204) is [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol is CS(=O)(=O)N1CCC[C@@H](n2cc(CO)nn2)C1.
What is the InChIKey of [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is SRKCYNHJVZNMFE-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-17(15,16)12-4-2-3-9(6-12)13-5-8(7-14)10-11-13/h5,9,14H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol?
[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 260.32 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 129496204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).