1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol

C9H15N3O3S — CID 81103360

IUPAC1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H15N3O3S/c1-9(13)2-4-12(5-3-9)16(14,15)8-6-10-7-11-8/h6-7,13H,2-5H2,1H3,(H,10,11)
InChIKeyQWDNDSFHUYYUOA-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.05
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol (PubChem CID 81103360) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
PubChem CID81103360
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H15N3O3S/c1-9(13)2-4-12(5-3-9)16(14,15)8-6-10-7-11-8/h6-7,13H,2-5H2,1H3,(H,10,11)
InChIKeyQWDNDSFHUYYUOA-UHFFFAOYSA-N
XLogP-0.05
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol (CID 81103360) is 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol?
The InChIKey is QWDNDSFHUYYUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-9(13)2-4-12(5-3-9)16(14,15)8-6-10-7-11-8/h6-7,13H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol?
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol has a molecular weight of 245.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).