3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide

C13H21N3O3S — CID 103426510

IUPAC3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC2CCCO2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C13H21N3O3S/c1-16(2)13(17)11-9(14)10(18-3)12(20-11)15-7-8-5-4-6-19-8/h8,15H,4-7,14H2,1-3H3
InChIKeyFDRRGPKZAUKWKT-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.63
Rot. Bonds5

About 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide

3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103426510) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide
PubChem CID103426510
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC2CCCO2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C13H21N3O3S/c1-16(2)13(17)11-9(14)10(18-3)12(20-11)15-7-8-5-4-6-19-8/h8,15H,4-7,14H2,1-3H3
InChIKeyFDRRGPKZAUKWKT-UHFFFAOYSA-N
XLogP1.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508693
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508706
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508653
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate
CID 164544883

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide (CID 103426510) is 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide is COc1c(NCC2CCCO2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is FDRRGPKZAUKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(2)13(17)11-9(14)10(18-3)12(20-11)15-7-8-5-4-6-19-8/h8,15H,4-7,14H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103426510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).