1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide

C10H22N4O2S — CID 114813326

IUPAC1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC)CCC(C)CC1
InChIInChI=1S/C10H22N4O2S/c1-3-13-17(15,16)14-10(9(11)12)6-4-8(2)5-7-10/h8,13-14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyQVCMQQZRMZDFEP-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.32
Rot. Bonds5

About 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide

1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide (PubChem CID 114813326) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
PubChem CID114813326
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC)CCC(C)CC1
InChIInChI=1S/C10H22N4O2S/c1-3-13-17(15,16)14-10(9(11)12)6-4-8(2)5-7-10/h8,13-14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyQVCMQQZRMZDFEP-UHFFFAOYSA-N
XLogP0.32
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114816893
1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114816946
1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
CID 105361944
1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813298
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
1-ethoxy-4-methylcyclohexane-1-carboximidamide
CID 116740221
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
4-methyl-1-(sulfamoylamino)cyclohexane-1-carbothioamide
CID 114959147
2-ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
4-ethyl-1-(propylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808155

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide?
The IUPAC name of 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide (CID 114813326) is 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide?
The canonical SMILES for 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC)CCC(C)CC1.
What is the InChIKey of 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide?
The InChIKey is QVCMQQZRMZDFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-3-13-17(15,16)14-10(9(11)12)6-4-8(2)5-7-10/h8,13-14H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide?
1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide has a molecular weight of 262.38 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide is sourced from PubChem (CID 114813326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).