methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate

C14H25N3O3S — CID 103506924

IUPACmethyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCC(C)N(C)C)c(OC(C)C)c1N
InChIInChI=1S/C14H25N3O3S/c1-8(2)20-11-10(15)12(14(18)19-6)21-13(11)16-7-9(3)17(4)5/h8-9,16H,7,15H2,1-6H3
InChIKeyZBXRXKMZJLANEI-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.27
Rot. Bonds7

About methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate

methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate (PubChem CID 103506924) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
PubChem CID103506924
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Namemethyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCC(C)N(C)C)c(OC(C)C)c1N
InChIInChI=1S/C14H25N3O3S/c1-8(2)20-11-10(15)12(14(18)19-6)21-13(11)16-7-9(3)17(4)5/h8-9,16H,7,15H2,1-6H3
InChIKeyZBXRXKMZJLANEI-UHFFFAOYSA-N
XLogP2.27
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103506893
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103424329
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004
ethyl 3-amino-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510106
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate (CID 103506924) is methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate is COC(=O)c1sc(NCC(C)N(C)C)c(OC(C)C)c1N.
What is the InChIKey of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate?
The InChIKey is ZBXRXKMZJLANEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-8(2)20-11-10(15)12(14(18)19-6)21-13(11)16-7-9(3)17(4)5/h8-9,16H,7,15H2,1-6H3.
What are the key properties of methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate?
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate has a molecular weight of 315.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate is sourced from PubChem (CID 103506924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).