tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate

C15H25NO2S — CID 177018342

IUPACtert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate
SMILESC=CC1=C(SC)CCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO2S/c1-7-11-10-12(8-9-13(11)19-6)16(5)14(17)18-15(2,3)4/h7,12H,1,8-10H2,2-6H3
InChIKeyUQZDUHLAMUBGFC-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate

tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate (PubChem CID 177018342) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate
PubChem CID177018342
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate
SMILESC=CC1=C(SC)CCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO2S/c1-7-11-10-12(8-9-13(11)19-6)16(5)14(17)18-15(2,3)4/h7,12H,1,8-10H2,2-6H3
InChIKeyUQZDUHLAMUBGFC-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate (CID 177018342) is tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate is C=CC1=C(SC)CCC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate?
The InChIKey is UQZDUHLAMUBGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-7-11-10-12(8-9-13(11)19-6)16(5)14(17)18-15(2,3)4/h7,12H,1,8-10H2,2-6H3.
What are the key properties of tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate?
tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate has a molecular weight of 283.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate is sourced from PubChem (CID 177018342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).