methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate

C14H22N2O3S2 — CID 103509868

IUPACmethyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
SMILESCCN(CC1CCCO1)c1sc(C(=O)OC)c(N)c1SC
InChIInChI=1S/C14H22N2O3S2/c1-4-16(8-9-6-5-7-19-9)13-11(20-3)10(15)12(21-13)14(17)18-2/h9H,4-8,15H2,1-3H3
InChIKeyOADSFMGEJJWBSB-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.84
Rot. Bonds6

About methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate

methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate (PubChem CID 103509868) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
PubChem CID103509868
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Namemethyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
SMILESCCN(CC1CCCO1)c1sc(C(=O)OC)c(N)c1SC
InChIInChI=1S/C14H22N2O3S2/c1-4-16(8-9-6-5-7-19-9)13-11(20-3)10(15)12(21-13)14(17)18-2/h9H,4-8,15H2,1-3H3
InChIKeyOADSFMGEJJWBSB-UHFFFAOYSA-N
XLogP2.84
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-4-cyano-5-[ethyl(oxolan-2-ylmethyl)amino]thiophene-2-carboxylate
CID 103509892
ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 107403366
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
3-amino-5-[cyclopropylmethyl(ethyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103422426
4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663311
methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
CID 103420777
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508653
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate (CID 103509868) is methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate is CCN(CC1CCCO1)c1sc(C(=O)OC)c(N)c1SC.
What is the InChIKey of methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
The InChIKey is OADSFMGEJJWBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-4-16(8-9-6-5-7-19-9)13-11(20-3)10(15)12(21-13)14(17)18-2/h9H,4-8,15H2,1-3H3.
What are the key properties of methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate has a molecular weight of 330.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate is sourced from PubChem (CID 103509868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).