2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide

C11H19N3OS — CID 63583861

IUPAC2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
SMILESCC(C)N(Cc1cccs1)C(C)C(=O)NN
InChIInChI=1S/C11H19N3OS/c1-8(2)14(9(3)11(15)13-12)7-10-5-4-6-16-10/h4-6,8-9H,7,12H2,1-3H3,(H,13,15)
InChIKeyQLYCSYXHQHQROK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.34
Rot. Bonds5

About 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide

2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide (PubChem CID 63583861) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
PubChem CID63583861
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
SMILESCC(C)N(Cc1cccs1)C(C)C(=O)NN
InChIInChI=1S/C11H19N3OS/c1-8(2)14(9(3)11(15)13-12)7-10-5-4-6-16-10/h4-6,8-9H,7,12H2,1-3H3,(H,13,15)
InChIKeyQLYCSYXHQHQROK-UHFFFAOYSA-N
XLogP1.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
CID 63568785
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79408522
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63582957
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide?
The IUPAC name of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide (CID 63583861) is 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide.
What is the SMILES notation for 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide?
The canonical SMILES for 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide is CC(C)N(Cc1cccs1)C(C)C(=O)NN.
What is the InChIKey of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide?
The InChIKey is QLYCSYXHQHQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)14(9(3)11(15)13-12)7-10-5-4-6-16-10/h4-6,8-9H,7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide?
2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide has a molecular weight of 241.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide is sourced from PubChem (CID 63583861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).