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

Analyze 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide
CID 75484621
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 64151500
1-(1H-imidazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 64154628
1-(1H-imidazol-5-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65530850
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-(trifluoromethyl)piperidine
CID 65531043
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-4-(trifluoromethyl)piperidine
CID 65531621
1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109917916

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).