1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid

C9H13N3O4S — CID 3453931

IUPAC1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H13N3O4S/c13-9(14)7-1-3-12(4-2-7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14)
InChIKeyGTRGMUITOGQNFD-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.10
Rot. Bonds3

About 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid

1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 3453931) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid
PubChem CID3453931
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C9H13N3O4S/c13-9(14)7-1-3-12(4-2-7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14)
InChIKeyGTRGMUITOGQNFD-UHFFFAOYSA-N
XLogP-0.10
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
methyl 2-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]acetate
CID 20856458
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
ethyl 1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 3245834
1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidine-4-carboxylic acid
CID 44122016
1-(1H-imidazol-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 3450940
1-(1H-imidazol-5-ylsulfonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64154506
2,2,2-trifluoro-1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]ethanol
CID 112410396
3,3-difluoro-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 136543090
4-(fluoromethyl)-1-(1H-imidazole-4-sulfonyl)piperidine
CID 155976697

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid (CID 3453931) is 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is GTRGMUITOGQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c13-9(14)7-1-3-12(4-2-7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid?
1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of -0.10, 3 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)piperidine-4-carboxylic acid is sourced from PubChem (CID 3453931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).