1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol

C12H21N3O3S — CID 55030582

IUPAC1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol
SMILESCCCn1cc(S(=O)(=O)N2CCC(O)CC2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-6-14-9-12(13-10(14)2)19(17,18)15-7-4-11(16)5-8-15/h9,11,16H,3-8H2,1-2H3
InChIKeyBVWORHNPNQQZRQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.75
Rot. Bonds4

About 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol

1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol (PubChem CID 55030582) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol
PubChem CID55030582
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol
SMILESCCCn1cc(S(=O)(=O)N2CCC(O)CC2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-6-14-9-12(13-10(14)2)19(17,18)15-7-4-11(16)5-8-15/h9,11,16H,3-8H2,1-2H3
InChIKeyBVWORHNPNQQZRQ-UHFFFAOYSA-N
XLogP0.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806338
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907781
N-(3-hydroxy-4,4-dimethylpentyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 71806371
4-(2-ethoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907796
(S)-3-(2-isopropyl-1-methyl-4-imidazolylsulfonylamino)-1-(tetrahydro-4H-pyran-4-yl)-1-propanol
CID 99997033
(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
CID 164631900
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 24229798
4-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 53007766
N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104858830
2-methyl-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 105649273
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 105649301
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106170242

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol (CID 55030582) is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol is CCCn1cc(S(=O)(=O)N2CCC(O)CC2)nc1C.
What is the InChIKey of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol?
The InChIKey is BVWORHNPNQQZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-6-14-9-12(13-10(14)2)19(17,18)15-7-4-11(16)5-8-15/h9,11,16H,3-8H2,1-2H3.
What are the key properties of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol?
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol has a molecular weight of 287.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 55030582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).