tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate

C14H21N3O3S — CID 170490426

IUPACtert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)16-9-5-4-6-10-7-8-11(21-10)12(18)17-15/h4,6-8H,5,9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyASUDSKFFNOQPGZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.28
Rot. Bonds5

About tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate

tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate (PubChem CID 170490426) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate
PubChem CID170490426
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nametert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)16-9-5-4-6-10-7-8-11(21-10)12(18)17-15/h4,6-8H,5,9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyASUDSKFFNOQPGZ-UHFFFAOYSA-N
XLogP2.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate 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

tert-butyl N-[4-(5-methylthiophen-2-yl)but-3-enyl]carbamate
CID 170489830
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025
tert-butyl N-[4-[4-(cyanomethyl)phenyl]but-3-enyl]carbamate
CID 170490487
tert-butyl N-[4-(2,6-diformylphenyl)but-3-enyl]carbamate
CID 170490740
tert-butyl N-[4-(2,3,6-trifluorophenyl)but-3-enyl]carbamate
CID 170490252
tert-butyl N-[4-(2-formylthiophen-3-yl)but-3-enyl]carbamate
CID 170489867
tert-butyl N-[4-(3-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490557
tert-butyl N-[4-(2-amino-5-bromophenyl)but-3-enyl]carbamate
CID 170491530
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzene-1,3-dicarboxylic acid
CID 170491283
tert-butyl N-[4-(4,5-diamino-2-methylphenyl)but-3-enyl]carbamate
CID 170490406
tert-butyl N-[4-[4-(2-hydroxyethyl)phenyl]but-3-enyl]carbamate
CID 170490376
tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
CID 170491208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate (CID 170490426) is tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1ccc(C(=O)NN)s1.
What is the InChIKey of tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate?
The InChIKey is ASUDSKFFNOQPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)16-9-5-4-6-10-7-8-11(21-10)12(18)17-15/h4,6-8H,5,9,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate?
tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate has a molecular weight of 311.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-(hydrazinecarbonyl)thiophen-2-yl]but-3-enyl]carbamate is sourced from PubChem (CID 170490426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).