N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide

C6H15N3OS — CID 77028476

IUPACN'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
SMILESCSCCNC(C)C(N)=NO
InChIInChI=1S/C6H15N3OS/c1-5(6(7)9-10)8-3-4-11-2/h5,8,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyUDPGQOYXIPXRBG-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.07
Rot. Bonds5

About N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide

N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide (PubChem CID 77028476) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
PubChem CID77028476
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC NameN'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
SMILESCSCCNC(C)C(N)=NO
InChIInChI=1S/C6H15N3OS/c1-5(6(7)9-10)8-3-4-11-2/h5,8,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyUDPGQOYXIPXRBG-UHFFFAOYSA-N
XLogP0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(2-methylsulfanylethylamino)propanamide
CID 60672708
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
N'-hydroxy-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]propanimidamide
CID 106247927
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide (CID 77028476) is N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide is CSCCNC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide?
The InChIKey is UDPGQOYXIPXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-5(6(7)9-10)8-3-4-11-2/h5,8,10H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide?
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide has a molecular weight of 177.27 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide is sourced from PubChem (CID 77028476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).