N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide

C11H19N3OS — CID 77031256

IUPACN'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
SMILESCCC(NC(C)CC(N)=NO)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-3-9(10-5-4-6-16-10)13-8(2)7-11(12)14-15/h4-6,8-9,13,15H,3,7H2,1-2H3,(H2,12,14)
InChIKeyTYBURTWWUPFJLJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.31
Rot. Bonds6

About N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide

N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide (PubChem CID 77031256) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
PubChem CID77031256
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
SMILESCCC(NC(C)CC(N)=NO)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-3-9(10-5-4-6-16-10)13-8(2)7-11(12)14-15/h4-6,8-9,13,15H,3,7H2,1-2H3,(H2,12,14)
InChIKeyTYBURTWWUPFJLJ-UHFFFAOYSA-N
XLogP2.31
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
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

N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
CID 77031255
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
CID 66338688
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide
CID 77045251
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide (CID 77031256) is N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide is CCC(NC(C)CC(N)=NO)c1cccs1.
What is the InChIKey of N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide?
The InChIKey is TYBURTWWUPFJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9(10-5-4-6-16-10)13-8(2)7-11(12)14-15/h4-6,8-9,13,15H,3,7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide?
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide has a molecular weight of 241.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide is sourced from PubChem (CID 77031256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).