1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide

C12H24N4O3S — CID 104978329

IUPAC1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)NC2CC2)(C(N)=NO)CC1
InChIInChI=1S/C12H24N4O3S/c1-2-9-5-7-12(8-6-9,11(13)14-17)16-20(18,19)15-10-3-4-10/h9-10,15-17H,2-8H2,1H3,(H2,13,14)
InChIKeyLIRYHSNAJFIXMF-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.66
Rot. Bonds6

About 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide

1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 104978329) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID104978329
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)NC2CC2)(C(N)=NO)CC1
InChIInChI=1S/C12H24N4O3S/c1-2-9-5-7-12(8-6-9,11(13)14-17)16-20(18,19)15-10-3-4-10/h9-10,15-17H,2-8H2,1H3,(H2,13,14)
InChIKeyLIRYHSNAJFIXMF-UHFFFAOYSA-N
XLogP0.66
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
4-Ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64405905
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76904454
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904458
4-ethyl-N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904459
2-cyclohexyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978255
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257
2-cyclohexyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978258
2-cyclohexyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978260
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978299

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide (CID 104978329) is 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide is CCC1CCC(NS(=O)(=O)NC2CC2)(C(N)=NO)CC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is LIRYHSNAJFIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-2-9-5-7-12(8-6-9,11(13)14-17)16-20(18,19)15-10-3-4-10/h9-10,15-17H,2-8H2,1H3,(H2,13,14).
What are the key properties of 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide?
1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 304.42 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)-4-ethyl-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 104978329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).