2-(propan-2-ylsulfamoylamino)pentanimidamide

C8H20N4O2S — CID 114813355

IUPAC2-(propan-2-ylsulfamoylamino)pentanimidamide
SMILES[H]/N=C(\N)C(CCC)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N4O2S/c1-4-5-7(8(9)10)12-15(13,14)11-6(2)3/h6-7,11-12H,4-5H2,1-3H3,(H3,9,10)
InChIKeyZDQDYRMALPZQNY-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.08
Rot. Bonds7

About 2-(propan-2-ylsulfamoylamino)pentanimidamide

2-(propan-2-ylsulfamoylamino)pentanimidamide (PubChem CID 114813355) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoylamino)pentanimidamide.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoylamino)pentanimidamide
PubChem CID114813355
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name2-(propan-2-ylsulfamoylamino)pentanimidamide
SMILES[H]/N=C(\N)C(CCC)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N4O2S/c1-4-5-7(8(9)10)12-15(13,14)11-6(2)3/h6-7,11-12H,4-5H2,1-3H3,(H3,9,10)
InChIKeyZDQDYRMALPZQNY-UHFFFAOYSA-N
XLogP-0.08
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.08
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

(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
1-amino-1-iminopentane-2-sulfonic acid
CID 141155185
2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 114813244
3-methyl-2-oxohexanimidamide
CID 141053375
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine
CID 114812975
(3S)-3-methylhexan-2-imine
CID 149359557
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
3-[(3-amino-3-imino-2-methylpropyl)diazenyl]-2-methylpropanimidamide;sulfuric acid
CID 87274972
2-methyl-N-propan-2-ylpentanamide
CID 4628268
4-methylheptan-3-imine
CID 149092868
tert-butyl N-(1-amino-1-imino-4-methylpentan-2-yl)carbamate
CID 61428279

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfamoylamino)pentanimidamide?
The IUPAC name of 2-(propan-2-ylsulfamoylamino)pentanimidamide (CID 114813355) is 2-(propan-2-ylsulfamoylamino)pentanimidamide.
What is the SMILES notation for 2-(propan-2-ylsulfamoylamino)pentanimidamide?
The canonical SMILES for 2-(propan-2-ylsulfamoylamino)pentanimidamide is [H]/N=C(\N)C(CCC)NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-(propan-2-ylsulfamoylamino)pentanimidamide?
The InChIKey is ZDQDYRMALPZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-4-5-7(8(9)10)12-15(13,14)11-6(2)3/h6-7,11-12H,4-5H2,1-3H3,(H3,9,10).
What are the key properties of 2-(propan-2-ylsulfamoylamino)pentanimidamide?
2-(propan-2-ylsulfamoylamino)pentanimidamide has a molecular weight of 236.34 g/mol, XLogP of -0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoylamino)pentanimidamide is sourced from PubChem (CID 114813355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).