2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C9H17N3O3S — CID 77046595

IUPAC2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H17N3O3S/c10-9(11-13)7-2-1-3-8(7)12-16(14,15)6-4-5-6/h6-8,12-13H,1-5H2,(H2,10,11)
InChIKeyWEYONZLYYMNIKK-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.02
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77046595) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77046595
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H17N3O3S/c10-9(11-13)7-2-1-3-8(7)12-16(14,15)6-4-5-6/h6-8,12-13H,1-5H2,(H2,10,11)
InChIKeyWEYONZLYYMNIKK-UHFFFAOYSA-N
XLogP-0.02
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 77046595) is 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)C1CC1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is WEYONZLYYMNIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c10-9(11-13)7-2-1-3-8(7)12-16(14,15)6-4-5-6/h6-8,12-13H,1-5H2,(H2,10,11).
What are the key properties of 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 247.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77046595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).