tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate

C11H21NO2S — CID 90058718

IUPACtert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate
SMILESC=CC(CCSC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-6-9(7-8-15-5)12-10(13)14-11(2,3)4/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyUWKZNCWTDCYPKJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.82
Rot. Bonds5

About tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate

tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate (PubChem CID 90058718) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate
PubChem CID90058718
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nametert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate
SMILESC=CC(CCSC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-6-9(7-8-15-5)12-10(13)14-11(2,3)4/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyUWKZNCWTDCYPKJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-(5-oxopent-1-en-3-yl)carbamate
CID 87517564
tert-butyl N-[(2S)-1-chloro-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 131217550
tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate
CID 44605568
2-methylprop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
CID 11748703
ethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 95898092
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 24688995
methyl (3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoate
CID 91551587
3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutyl]disulfanyl]propanoic acid
CID 129048053
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]carbamate
CID 43103815
tert-butyl N-(1-cyano-1-hydroxy-4-methylsulfanylbutan-2-yl)carbamate
CID 130004276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate (CID 90058718) is tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate is C=CC(CCSC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate?
The InChIKey is UWKZNCWTDCYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-6-9(7-8-15-5)12-10(13)14-11(2,3)4/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate?
tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate has a molecular weight of 231.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate is sourced from PubChem (CID 90058718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).