2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide

C12H21N5O3S — CID 79369865

IUPAC2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESCCn1cnc(S(=O)(=O)N(CC(N)=NO)C2CCCC2)c1
InChIInChI=1S/C12H21N5O3S/c1-2-16-8-12(14-9-16)21(19,20)17(7-11(13)15-18)10-5-3-4-6-10/h8-10,18H,2-7H2,1H3,(H2,13,15)
InChIKeyNBKQNWPKYKAEDN-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.58
Rot. Bonds6

About 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide

2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide (PubChem CID 79369865) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide
PubChem CID79369865
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESCCn1cnc(S(=O)(=O)N(CC(N)=NO)C2CCCC2)c1
InChIInChI=1S/C12H21N5O3S/c1-2-16-8-12(14-9-16)21(19,20)17(7-11(13)15-18)10-5-3-4-6-10/h8-10,18H,2-7H2,1H3,(H2,13,15)
InChIKeyNBKQNWPKYKAEDN-UHFFFAOYSA-N
XLogP0.58
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.58
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-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide
CID 102847487
1-ethyl-N-piperidin-3-yl-N-propylimidazole-4-sulfonamide
CID 79373627
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044834
2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 77044621
N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
CID 63766956
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-cyclopentylamino]acetamide
CID 47298755
2-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]acetic acid
CID 79373799
2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxyethanimidamide
CID 77038132
N-(3-aminopropyl)-N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 62374937
1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
CID 114088856
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113090

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide (CID 79369865) is 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide is CCn1cnc(S(=O)(=O)N(CC(N)=NO)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The InChIKey is NBKQNWPKYKAEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-2-16-8-12(14-9-16)21(19,20)17(7-11(13)15-18)10-5-3-4-6-10/h8-10,18H,2-7H2,1H3,(H2,13,15).
What are the key properties of 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide has a molecular weight of 315.40 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 79369865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).