N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide

C11H19N3OS — CID 77031852

IUPACN'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
SMILESCCC(NCCCC(N)=NO)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-2-9(10-5-4-8-16-10)13-7-3-6-11(12)14-15/h4-5,8-9,13,15H,2-3,6-7H2,1H3,(H2,12,14)
InChIKeyOZSYKACPKXFALG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds7

About N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide

N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide (PubChem CID 77031852) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
PubChem CID77031852
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
SMILESCCC(NCCCC(N)=NO)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-2-9(10-5-4-8-16-10)13-7-3-6-11(12)14-15/h4-5,8-9,13,15H,2-3,6-7H2,1H3,(H2,12,14)
InChIKeyOZSYKACPKXFALG-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
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

N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
CID 77031255
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 54964719
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
CID 77027423
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
3-(butylamino)-3-thiophen-2-ylpropanoic acid
CID 43727779

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide (CID 77031852) is N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide is CCC(NCCCC(N)=NO)c1cccs1.
What is the InChIKey of N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide?
The InChIKey is OZSYKACPKXFALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-9(10-5-4-8-16-10)13-7-3-6-11(12)14-15/h4-5,8-9,13,15H,2-3,6-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide?
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide has a molecular weight of 241.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide is sourced from PubChem (CID 77031852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).