1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide

C9H18N4O2S — CID 114813162

IUPAC1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC2CC2)CCCC1
InChIInChI=1S/C9H18N4O2S/c10-8(11)9(5-1-2-6-9)13-16(14,15)12-7-3-4-7/h7,12-13H,1-6H2,(H3,10,11)
InChIKeyONLCAZHXSULGQH-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.18
Rot. Bonds5

About 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide

1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 114813162) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID114813162
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC2CC2)CCCC1
InChIInChI=1S/C9H18N4O2S/c10-8(11)9(5-1-2-6-9)13-16(14,15)12-7-3-4-7/h7,12-13H,1-6H2,(H3,10,11)
InChIKeyONLCAZHXSULGQH-UHFFFAOYSA-N
XLogP-0.18
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.18
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)cyclopentane-1-carboximidamide
CID 113637733
1-(Diethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64406665
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64408750
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978312
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978317
N'-hydroxy-1-(propylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637610
1-(Tert-butylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637734
2-(Cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
CID 114813156
2-(Tert-butylsulfamoylamino)cyclopentane-1-carboximidamide
CID 114813158
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 114813161
1-(Methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 114813163

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide (CID 114813162) is 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC2CC2)CCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is ONLCAZHXSULGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c10-8(11)9(5-1-2-6-9)13-16(14,15)12-7-3-4-7/h7,12-13H,1-6H2,(H3,10,11).
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 246.34 g/mol, XLogP of -0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 114813162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).