3-(propan-2-ylsulfamoylamino)butanimidamide

C7H18N4O2S — CID 114813148

IUPAC3-(propan-2-ylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC(C)C
InChIInChI=1S/C7H18N4O2S/c1-5(2)10-14(12,13)11-6(3)4-7(8)9/h5-6,10-11H,4H2,1-3H3,(H3,8,9)
InChIKeyMNLNYTBCAPWION-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.47
Rot. Bonds6

About 3-(propan-2-ylsulfamoylamino)butanimidamide

3-(propan-2-ylsulfamoylamino)butanimidamide (PubChem CID 114813148) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoylamino)butanimidamide
PubChem CID114813148
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name3-(propan-2-ylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC(C)C
InChIInChI=1S/C7H18N4O2S/c1-5(2)10-14(12,13)11-6(3)4-7(8)9/h5-6,10-11H,4H2,1-3H3,(H3,8,9)
InChIKeyMNLNYTBCAPWION-UHFFFAOYSA-N
XLogP-0.47
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.47
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

3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
3-Ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 23564162
2-Methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64405515
2-(Diethylsulfamoylamino)butanimidamide
CID 64405523
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
2-(Dimethylsulfamoylamino)pentanimidamide
CID 64405946
3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406131
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406146
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406503
3-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406653

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoylamino)butanimidamide?
The IUPAC name of 3-(propan-2-ylsulfamoylamino)butanimidamide (CID 114813148) is 3-(propan-2-ylsulfamoylamino)butanimidamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoylamino)butanimidamide?
The canonical SMILES for 3-(propan-2-ylsulfamoylamino)butanimidamide is [H]/N=C(\N)CC(C)NS(=O)(=O)NC(C)C.
What is the InChIKey of 3-(propan-2-ylsulfamoylamino)butanimidamide?
The InChIKey is MNLNYTBCAPWION-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-5(2)10-14(12,13)11-6(3)4-7(8)9/h5-6,10-11H,4H2,1-3H3,(H3,8,9).
What are the key properties of 3-(propan-2-ylsulfamoylamino)butanimidamide?
3-(propan-2-ylsulfamoylamino)butanimidamide has a molecular weight of 222.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).