2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate

C12H17NO2S — CID 162212649

IUPAC2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCC(C)C)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-4-11(10-5-6-16-8-10)13-12(14)15-7-9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyZTBBPPAFNTWCGT-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.74
Rot. Bonds4

About 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate

2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate (PubChem CID 162212649) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate
PubChem CID162212649
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCC(C)C)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-4-11(10-5-6-16-8-10)13-12(14)15-7-9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyZTBBPPAFNTWCGT-UHFFFAOYSA-N
XLogP3.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methylpropyl N-(1-thiophen-3-ylpropylidene)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

methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate
CID 142239486
2-methylpropyl N-(diaminomethylidene)carbamate
CID 87606933
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690
2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
CID 72612293
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
3-butan-2-ylimino-1-thiophen-3-ylpropan-1-one
CID 91575240
N'-(2-methylpropyl)thiophene-3-carboximidamide
CID 62049223
N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
ethyl 2-thiophen-3-ylprop-2-enoate
CID 89199275

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate?
The IUPAC name of 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate (CID 162212649) is 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate is CCC(=NC(=O)OCC(C)C)c1ccsc1.
What is the InChIKey of 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate?
The InChIKey is ZTBBPPAFNTWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-11(10-5-6-16-8-10)13-12(14)15-7-9(2)3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate?
2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate has a molecular weight of 239.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate is sourced from PubChem (CID 162212649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).