methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate

C9H13NO2S — CID 115190738

IUPACmethyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1sccc1C
InChIInChI=1S/C9H13NO2S/c1-7-4-6-13-8(7)3-5-10-9(11)12-2/h4,6H,3,5H2,1-2H3,(H,10,11)
InChIKeyUBQKVWSSJZNQRI-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.96
Rot. Bonds3

About methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate

methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate (PubChem CID 115190738) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
PubChem CID115190738
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1sccc1C
InChIInChI=1S/C9H13NO2S/c1-7-4-6-13-8(7)3-5-10-9(11)12-2/h4,6H,3,5H2,1-2H3,(H,10,11)
InChIKeyUBQKVWSSJZNQRI-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(3-methylthiophen-2-yl)ethylamino]-2-oxoacetate
CID 115142589
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978
2-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 115152050
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 115153356
(E)-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177301
4-[2-(3-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122008876
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462
N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
CID 115159059
3-amino-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181342
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate (CID 115190738) is methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate is COC(=O)NCCc1sccc1C.
What is the InChIKey of methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate?
The InChIKey is UBQKVWSSJZNQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-4-6-13-8(7)3-5-10-9(11)12-2/h4,6H,3,5H2,1-2H3,(H,10,11).
What are the key properties of methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate?
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate has a molecular weight of 199.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 115190738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).