2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide

C9H18N4O2S — CID 114813156

IUPAC2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N4O2S/c10-9(11)7-2-1-3-8(7)13-16(14,15)12-6-4-5-6/h6-8,12-13H,1-5H2,(H3,10,11)
InChIKeyRXJRVYKAEOLIOM-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.32
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide

2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 114813156) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID114813156
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N4O2S/c10-9(11)7-2-1-3-8(7)13-16(14,15)12-6-4-5-6/h6-8,12-13H,1-5H2,(H3,10,11)
InChIKeyRXJRVYKAEOLIOM-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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

2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637732
2-(Diethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64405825
2-(Dimethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64406873
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64407919
2-(Cyclopropylsulfonylamino)cyclopentane-1-carboximidamide
CID 64552457
2-(Cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64989052
2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978441
N'-hydroxy-2-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978442
2-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978443
2-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978445
N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978446
N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
CID 104985778

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide (CID 114813156) is 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1CCCC1NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is RXJRVYKAEOLIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c10-9(11)7-2-1-3-8(7)13-16(14,15)12-6-4-5-6/h6-8,12-13H,1-5H2,(H3,10,11).
What are the key properties of 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide?
2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 246.34 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 2-(cyclopropylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 114813156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).