N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide

C7H18N4O3S — CID 77028400

IUPACN'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide
SMILESCC(CNCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-6(7(8)11-12)5-9-3-4-10-15(2,13)14/h6,9-10,12H,3-5H2,1-2H3,(H2,8,11)
InChIKeyDYRPCRTYYITTQV-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.49
Rot. Bonds7

About N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide

N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide (PubChem CID 77028400) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide
PubChem CID77028400
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide
SMILESCC(CNCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-6(7(8)11-12)5-9-3-4-10-15(2,13)14/h6,9-10,12H,3-5H2,1-2H3,(H2,8,11)
InChIKeyDYRPCRTYYITTQV-UHFFFAOYSA-N
XLogP-1.49
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide (CID 77028400) is N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide is CC(CNCCNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide?
The InChIKey is DYRPCRTYYITTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-6(7(8)11-12)5-9-3-4-10-15(2,13)14/h6,9-10,12H,3-5H2,1-2H3,(H2,8,11).
What are the key properties of N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide has a molecular weight of 238.31 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide is sourced from PubChem (CID 77028400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).