3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide

C13H21N5O2S — CID 103421525

IUPAC3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide
SMILESCN(C)CC1CCCN1c1sc(C(N)=O)c(N)c1C(N)=O
InChIInChI=1S/C13H21N5O2S/c1-17(2)6-7-4-3-5-18(7)13-8(11(15)19)9(14)10(21-13)12(16)20/h7H,3-6,14H2,1-2H3,(H2,15,19)(H2,16,20)
InChIKeyGDTHBLCFFDNJPF-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.06
Rot. Bonds5

About 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide

3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide (PubChem CID 103421525) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide
PubChem CID103421525
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide
SMILESCN(C)CC1CCCN1c1sc(C(N)=O)c(N)c1C(N)=O
InChIInChI=1S/C13H21N5O2S/c1-17(2)6-7-4-3-5-18(7)13-8(11(15)19)9(14)10(21-13)12(16)20/h7H,3-6,14H2,1-2H3,(H2,15,19)(H2,16,20)
InChIKeyGDTHBLCFFDNJPF-UHFFFAOYSA-N
XLogP0.06
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103421518
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421528
methyl 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carboxylate
CID 103421533
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
CID 103421549
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62888931
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506307
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide
CID 103526437
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 103421513
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 82796247
5-amino-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 62889596

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide (CID 103421525) is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide is CN(C)CC1CCCN1c1sc(C(N)=O)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide?
The InChIKey is GDTHBLCFFDNJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-17(2)6-7-4-3-5-18(7)13-8(11(15)19)9(14)10(21-13)12(16)20/h7H,3-6,14H2,1-2H3,(H2,15,19)(H2,16,20).
What are the key properties of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide?
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103421525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).