4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide

C12H26N4O2S — CID 114816893

IUPAC4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(C)C)CCC(C)CC1
InChIInChI=1S/C12H26N4O2S/c1-9(2)8-15-19(17,18)16-12(11(13)14)6-4-10(3)5-7-12/h9-10,15-16H,4-8H2,1-3H3,(H3,13,14)
InChIKeyUIRBADBIDYBFRR-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.95
Rot. Bonds6

About 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide

4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 114816893) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID114816893
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(C)C)CCC(C)CC1
InChIInChI=1S/C12H26N4O2S/c1-9(2)8-15-19(17,18)16-12(11(13)14)6-4-10(3)5-7-12/h9-10,15-16H,4-8H2,1-3H3,(H3,13,14)
InChIKeyUIRBADBIDYBFRR-UHFFFAOYSA-N
XLogP0.95
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.95
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

N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813324
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
1-(Dimethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64405487
4-Methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carboximidamide
CID 64405494
1-(Dimethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64405495
2-Cyclohexyl-2-(dimethylsulfamoylamino)ethanimidamide
CID 64405702
4-Ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64405905
1-(Azepan-1-ylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
CID 64405914
4-Methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64406124
2-Cyclohexyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide (CID 114816893) is 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC(C)C)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is UIRBADBIDYBFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-9(2)8-15-19(17,18)16-12(11(13)14)6-4-10(3)5-7-12/h9-10,15-16H,4-8H2,1-3H3,(H3,13,14).
What are the key properties of 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide?
4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 290.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 114816893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).