[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol

C9H16N4O3S — CID 129493695

IUPAC[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
SMILESCS(=O)(=O)N1CCC[C@H]1Cn1cc(CO)nn1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)13-4-2-3-9(13)6-12-5-8(7-14)10-11-12/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyBOLDRVDOCXKPNV-VIFPVBQESA-N
MW260.32 g/mol
LogP-0.81
Rot. Bonds4

About [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol

[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol (PubChem CID 129493695) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
PubChem CID129493695
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
SMILESCS(=O)(=O)N1CCC[C@H]1Cn1cc(CO)nn1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)13-4-2-3-9(13)6-12-5-8(7-14)10-11-12/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyBOLDRVDOCXKPNV-VIFPVBQESA-N
XLogP-0.81
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol (CID 129493695) is [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol is CS(=O)(=O)N1CCC[C@H]1Cn1cc(CO)nn1.
What is the InChIKey of [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol?
The InChIKey is BOLDRVDOCXKPNV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-17(15,16)13-4-2-3-9(13)6-12-5-8(7-14)10-11-12/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol?
[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol has a molecular weight of 260.32 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 129493695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).