3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide

C12H20N4OS — CID 103421528

IUPAC3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide
SMILESCN(C)CC1CCCN1c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C12H20N4OS/c1-15(2)7-8-4-3-5-16(8)10-6-9(13)11(18-10)12(14)17/h6,8H,3-5,7,13H2,1-2H3,(H2,14,17)
InChIKeyVJFPTNSQEYRONE-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.96
Rot. Bonds4

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

3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide (PubChem CID 103421528) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide
PubChem CID103421528
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide
SMILESCN(C)CC1CCCN1c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C12H20N4OS/c1-15(2)7-8-4-3-5-16(8)10-6-9(13)11(18-10)12(14)17/h6,8H,3-5,7,13H2,1-2H3,(H2,14,17)
InChIKeyVJFPTNSQEYRONE-UHFFFAOYSA-N
XLogP0.96
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
CID 103421549
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 103421513
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2,4-dicarboxamide
CID 103421525
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421975
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
1-[3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103421518
methyl 3-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoate
CID 62889597
methyl 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carboxylate
CID 103421533
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62888931
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 102822897
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methoxybenzoic acid
CID 81305180

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide (CID 103421528) is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide is CN(C)CC1CCCN1c1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide?
The InChIKey is VJFPTNSQEYRONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-15(2)7-8-4-3-5-16(8)10-6-9(13)11(18-10)12(14)17/h6,8H,3-5,7,13H2,1-2H3,(H2,14,17).
What are the key properties of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide?
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103421528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).