tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate

C13H19NO2S — CID 169466876

IUPACtert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
SMILESCc1ccsc1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-10-7-9-17-11(10)6-5-8-14-12(15)16-13(2,3)4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyMRHUWKVVHKZOEP-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.59
Rot. Bonds3

About tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate (PubChem CID 169466876) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
PubChem CID169466876
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nametert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
SMILESCc1ccsc1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-10-7-9-17-11(10)6-5-8-14-12(15)16-13(2,3)4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyMRHUWKVVHKZOEP-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-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-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[4-(2-formylthiophen-3-yl)but-3-enyl]carbamate
CID 170489867
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
tert-butyl N-[(E)-4-(thiophen-2-ylmethylamino)but-2-enyl]carbamate
CID 107253094
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-(4,5-dibromothiophen-2-yl)prop-2-enyl]carbamate
CID 169468821
2-methyl-2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]propanoic acid
CID 169468334

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate (CID 169466876) is tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate is Cc1ccsc1C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate?
The InChIKey is MRHUWKVVHKZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-7-9-17-11(10)6-5-8-14-12(15)16-13(2,3)4/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate has a molecular weight of 253.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).