1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol

C14H24N4O3S — CID 128975128

IUPAC1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H24N4O3S/c19-14(13-9-15-17-16-13)7-4-8-18(11-14)22(20,21)10-12-5-2-1-3-6-12/h9,12,19H,1-8,10-11H2,(H,15,16,17)
InChIKeyJWHINOXIKYHHBI-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.00
Rot. Bonds4

About 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol

1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 128975128) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID128975128
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H24N4O3S/c19-14(13-9-15-17-16-13)7-4-8-18(11-14)22(20,21)10-12-5-2-1-3-6-12/h9,12,19H,1-8,10-11H2,(H,15,16,17)
InChIKeyJWHINOXIKYHHBI-UHFFFAOYSA-N
XLogP1.00
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol (CID 128975128) is 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol is O=S(=O)(CC1CCCCC1)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is JWHINOXIKYHHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c19-14(13-9-15-17-16-13)7-4-8-18(11-14)22(20,21)10-12-5-2-1-3-6-12/h9,12,19H,1-8,10-11H2,(H,15,16,17).
What are the key properties of 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol?
1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol has a molecular weight of 328.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128975128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).