1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C12H21N5O3S — CID 107162680

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1nc(S(=O)(=O)N2CCC(C)(C(N)=NO)CC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9-14-10(8-16(9)3)21(19,20)17-6-4-12(2,5-7-17)11(13)15-18/h8,18H,4-7H2,1-3H3,(H2,13,15)
InChIKeyHELXISGYOANAMY-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.27
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162680) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162680
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1nc(S(=O)(=O)N2CCC(C)(C(N)=NO)CC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9-14-10(8-16(9)3)21(19,20)17-6-4-12(2,5-7-17)11(13)15-18/h8,18H,4-7H2,1-3H3,(H2,13,15)
InChIKeyHELXISGYOANAMY-UHFFFAOYSA-N
XLogP0.27
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779338
(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 120873149
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162654
N'-hydroxy-1-(1-methylimidazol-4-yl)sulfonyl-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108956
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 62311267
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 121170841
1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162662

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162680) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is Cc1nc(S(=O)(=O)N2CCC(C)(C(N)=NO)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is HELXISGYOANAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9-14-10(8-16(9)3)21(19,20)17-6-4-12(2,5-7-17)11(13)15-18/h8,18H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 315.40 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).