2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide

C8H18N4O3S — CID 104978341

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-3-8(2,7(9)10-13)12-16(14,15)11-6-4-5-6/h6,11-13H,3-5H2,1-2H3,(H2,9,10)
InChIKeyLWRHHAUFKPTANV-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.51
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 104978341) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
PubChem CID104978341
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-3-8(2,7(9)10-13)12-16(14,15)11-6-4-5-6/h6,11-13H,3-5H2,1-2H3,(H2,9,10)
InChIKeyLWRHHAUFKPTANV-UHFFFAOYSA-N
XLogP-0.51
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
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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Related Compounds

2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
CID 114813404
2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
CID 77017138
2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide
CID 114808113
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114811238
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488
3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
CID 79154540
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
CID 79762996
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182742
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327
[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
CID 114803918
N-[2-(cyclopropylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76921536
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxy-2-methylbutanamide
CID 114106266

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide (CID 104978341) is 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide is CCC(C)(NS(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is LWRHHAUFKPTANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-3-8(2,7(9)10-13)12-16(14,15)11-6-4-5-6/h6,11-13H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 104978341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).