tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate

C15H25NO2S — CID 177018432

IUPACtert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate
SMILESC=C(C)C1=C(SC)CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO2S/c1-10(2)12-8-11(9-13(12)19-7)16(6)14(17)18-15(3,4)5/h11H,1,8-9H2,2-7H3
InChIKeyANVKRCIVSIEDFT-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate

tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate (PubChem CID 177018432) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate
PubChem CID177018432
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate
SMILESC=C(C)C1=C(SC)CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO2S/c1-10(2)12-8-11(9-13(12)19-7)16(6)14(17)18-15(3,4)5/h11H,1,8-9H2,2-7H3
InChIKeyANVKRCIVSIEDFT-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

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Related Compounds

tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate
CID 177018342
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-(dioxan-4-yl)-N-methylcarbamate
CID 175356667
tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate
CID 146121110
tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
CID 54105856
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-cyclohex-3-en-1-yl-N-methylcarbamate
CID 66707419
tert-butyl N-[(1R)-cyclohex-3-en-1-yl]-N-methylcarbamate
CID 170643869

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate (CID 177018432) is tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate is C=C(C)C1=C(SC)CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate?
The InChIKey is ANVKRCIVSIEDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-10(2)12-8-11(9-13(12)19-7)16(6)14(17)18-15(3,4)5/h11H,1,8-9H2,2-7H3.
What are the key properties of tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate?
tert-butyl N-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate 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-methyl-N-(3-methylsulfanyl-4-prop-1-en-2-ylcyclopent-3-en-1-yl)carbamate is sourced from PubChem (CID 177018432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).