(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate

C15H18N2O5S2 — CID 20720723

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate
SMILESCSc1cccnc1CSCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C15H18N2O5S2/c1-10-12(22-15(19)21-10)8-20-14(18)17-6-7-24-9-11-13(23-2)4-3-5-16-11/h3-5H,6-9H2,1-2H3,(H,17,18)
InChIKeyGDKATIWYKYTKIP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.82
Rot. Bonds8

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate (PubChem CID 20720723) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate
PubChem CID20720723
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate
SMILESCSc1cccnc1CSCCNC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C15H18N2O5S2/c1-10-12(22-15(19)21-10)8-20-14(18)17-6-7-24-9-11-13(23-2)4-3-5-16-11/h3-5H,6-9H2,1-2H3,(H,17,18)
InChIKeyGDKATIWYKYTKIP-UHFFFAOYSA-N
XLogP2.82
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[3-[[2-(propylsulfanylmethyl)-3-pyridinyl]disulfanyl]-2-pyridinyl]methylsulfanyl]ethyl]carbamate
CID 58430351
2-[(3-sulfanyl-2-pyridinyl)methylsulfanyl]ethylcarbamic acid
CID 68732491
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-methylcarbamate
CID 70670865
2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]ethylcarbamoyloxymethyl acetate;molecular hydrogen
CID 142436120
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
(3S)-3-amino-4-oxo-4-[2-[(3-sulfanyl-2-pyridinyl)methylsulfanyl]ethylamino]butanoic acid;dihydrochloride
CID 20720675
2-[2-[(1-methylsulfanyl-2-nitroethenyl)amino]ethylsulfanylmethyl]pyridin-3-ol
CID 70620345
acetic acid;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(cyclohexylmethyl)carbamate
CID 69176768
2-[3-[[amino-[2-[(3-methoxy-2-pyridinyl)methylsulfanyl]ethylamino]methylidene]amino]propyl]-1-[2-[(3-methoxy-2-pyridinyl)methylsulfanyl]ethyl]guanidine
CID 20508668
propan-2-yl (2R)-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]propanoate
CID 142436245
methyl (2S)-3-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]butanoate
CID 126707925
1-[2-[(3-hydroxy-2-pyridinyl)methylsulfanyl]ethyl]-2-methyl-3-sulfamoylguanidine
CID 54257613

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate (CID 20720723) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate is CSc1cccnc1CSCCNC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate?
The InChIKey is GDKATIWYKYTKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-10-12(22-15(19)21-10)8-20-14(18)17-6-7-24-9-11-13(23-2)4-3-5-16-11/h3-5H,6-9H2,1-2H3,(H,17,18).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[(3-methylsulfanyl-2-pyridinyl)methylsulfanyl]ethyl]carbamate is sourced from PubChem (CID 20720723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).