N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide

C10H17N3OS — CID 77031722

IUPACN'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
SMILESCCCC(NCC(N)=NO)c1cccs1
InChIInChI=1S/C10H17N3OS/c1-2-4-8(9-5-3-6-15-9)12-7-10(11)13-14/h3,5-6,8,12,14H,2,4,7H2,1H3,(H2,11,13)
InChIKeyOQGUPVMPQAOUDL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.93
Rot. Bonds6

About N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide

N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide (PubChem CID 77031722) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
PubChem CID77031722
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
SMILESCCCC(NCC(N)=NO)c1cccs1
InChIInChI=1S/C10H17N3OS/c1-2-4-8(9-5-3-6-15-9)12-7-10(11)13-14/h3,5-6,8,12,14H,2,4,7H2,1H3,(H2,11,13)
InChIKeyOQGUPVMPQAOUDL-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.93
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-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 76921572
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418518
N-(oxan-4-yl)-2-(1-thiophen-2-ylbutylamino)acetamide
CID 63099370
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63454808
3-chloro-4-[(1-thiophen-2-ylbutylamino)methyl]benzamide
CID 102664298

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide (CID 77031722) is N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide is CCCC(NCC(N)=NO)c1cccs1.
What is the InChIKey of N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide?
The InChIKey is OQGUPVMPQAOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-4-8(9-5-3-6-15-9)12-7-10(11)13-14/h3,5-6,8,12,14H,2,4,7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide?
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide has a molecular weight of 227.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide is sourced from PubChem (CID 77031722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).