2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol

C15H26N4OS — CID 29257050

IUPAC2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(C[C@H]2CCCN(C3CCSCC3)C2)nn1
InChIInChI=1S/C15H26N4OS/c20-7-3-14-12-19(17-16-14)11-13-2-1-6-18(10-13)15-4-8-21-9-5-15/h12-13,15,20H,1-11H2/t13-/m0/s1
InChIKeyDZHBPXUUJRCGKP-ZDUSSCGKSA-N
MW310.47 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol

2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol (PubChem CID 29257050) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol
PubChem CID29257050
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(C[C@H]2CCCN(C3CCSCC3)C2)nn1
InChIInChI=1S/C15H26N4OS/c20-7-3-14-12-19(17-16-14)11-13-2-1-6-18(10-13)15-4-8-21-9-5-15/h12-13,15,20H,1-11H2/t13-/m0/s1
InChIKeyDZHBPXUUJRCGKP-ZDUSSCGKSA-N
XLogP1.42
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]methylurea
CID 45242717
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908
(3R)-3-(bromomethyl)-1-(thian-4-yl)piperidine
CID 124908555
[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 31224091
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455
4-(2-chloroethyl)-1-(cyclobutylmethyl)triazole
CID 65461453
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
(3S)-N-ethyl-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 31224969
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
[1-[[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
CID 154891493

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol (CID 29257050) is 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol is OCCc1cn(C[C@H]2CCCN(C3CCSCC3)C2)nn1.
What is the InChIKey of 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is DZHBPXUUJRCGKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4OS/c20-7-3-14-12-19(17-16-14)11-13-2-1-6-18(10-13)15-4-8-21-9-5-15/h12-13,15,20H,1-11H2/t13-/m0/s1.
What are the key properties of 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 310.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 29257050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).