1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide

C12H26N4O2S — CID 114813331

IUPAC1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)(C)C)CCCCCC1
InChIInChI=1S/C12H26N4O2S/c1-11(2,3)15-19(17,18)16-12(10(13)14)8-6-4-5-7-9-12/h15-16H,4-9H2,1-3H3,(H3,13,14)
InChIKeyAFGBXPUJTZZIGC-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.24
Rot. Bonds4

About 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide

1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 114813331) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID114813331
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)(C)C)CCCCCC1
InChIInChI=1S/C12H26N4O2S/c1-11(2,3)15-19(17,18)16-12(10(13)14)8-6-4-5-7-9-12/h15-16H,4-9H2,1-3H3,(H3,13,14)
InChIKeyAFGBXPUJTZZIGC-UHFFFAOYSA-N
XLogP1.24
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.24
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

1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813330
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 64405917
1-(Methanesulfonamido)cycloheptane-1-carboximidamide
CID 64405919
1-(Ethylsulfonylamino)cycloheptane-1-carboximidamide
CID 64406126
1-(Tert-butylsulfonylamino)cycloheptane-1-carboximidamide
CID 64406542
1-(Propylsulfonylamino)cycloheptane-1-carboximidamide
CID 64406752
1-(Butylsulfonylamino)cycloheptane-1-carboximidamide
CID 64406753
1-(Dimethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406949
1-(Propan-2-ylsulfonylamino)cycloheptane-1-carboximidamide
CID 64407590
1-(Diethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64407592
1-(Dimethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64408628
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide (CID 114813331) is 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC(C)(C)C)CCCCCC1.
What is the InChIKey of 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is AFGBXPUJTZZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-11(2,3)15-19(17,18)16-12(10(13)14)8-6-4-5-7-9-12/h15-16H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide?
1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 290.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 114813331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).