4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide

C13H21N3OS — CID 63577701

IUPAC4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H21N3OS/c1-10(4-7-13(17)15-14)16(11-5-6-11)9-12-3-2-8-18-12/h2-3,8,10-11H,4-7,9,14H2,1H3,(H,15,17)
InChIKeyIEXZWJMMNRJZAW-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.87
Rot. Bonds7

About 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide

4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide (PubChem CID 63577701) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
PubChem CID63577701
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H21N3OS/c1-10(4-7-13(17)15-14)16(11-5-6-11)9-12-3-2-8-18-12/h2-3,8,10-11H,4-7,9,14H2,1H3,(H,15,17)
InChIKeyIEXZWJMMNRJZAW-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.87
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'}

Analyze 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
3-amino-1-cyclopropyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)guanidine
CID 116514760
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
5-thiophen-2-ylpentanehydrazide
CID 70194284
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide?
The IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide (CID 63577701) is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide.
What is the SMILES notation for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide?
The canonical SMILES for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide is CC(CCC(=O)NN)N(Cc1cccs1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide?
The InChIKey is IEXZWJMMNRJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(4-7-13(17)15-14)16(11-5-6-11)9-12-3-2-8-18-12/h2-3,8,10-11H,4-7,9,14H2,1H3,(H,15,17).
What are the key properties of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide?
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide has a molecular weight of 267.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide is sourced from PubChem (CID 63577701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).