1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide

C12H24N4O2S — CID 114813298

IUPAC1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H24N4O2S/c13-11(14)12(8-4-2-1-3-5-9-12)16-19(17,18)15-10-6-7-10/h10,15-16H,1-9H2,(H3,13,14)
InChIKeyXSJWJXUXEPPIGB-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.99
Rot. Bonds5

About 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide

1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide (PubChem CID 114813298) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
PubChem CID114813298
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H24N4O2S/c13-11(14)12(8-4-2-1-3-5-9-12)16-19(17,18)15-10-6-7-10/h10,15-16H,1-9H2,(H3,13,14)
InChIKeyXSJWJXUXEPPIGB-UHFFFAOYSA-N
XLogP0.99
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.99
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)cyclooctane-1-carboximidamide
CID 114813300
1-(Diethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406318
1-(Dimethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406949
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 64407160
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978299
N'-hydroxy-1-(propylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978302
1-(ethylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978303
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978304
1-(cyclopropylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 104978335
1-(Ethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 113637751
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
CID 114813162
1-(Propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813297

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide (CID 114813298) is 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC2CC2)CCCCCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide?
The InChIKey is XSJWJXUXEPPIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c13-11(14)12(8-4-2-1-3-5-9-12)16-19(17,18)15-10-6-7-10/h10,15-16H,1-9H2,(H3,13,14).
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide?
1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide has a molecular weight of 288.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide is sourced from PubChem (CID 114813298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).