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

C13H22N4OS — CID 103421549

IUPAC3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC2CN(C)C)cc1N
InChIInChI=1S/C13H22N4OS/c1-15-13(18)12-10(14)7-11(19-12)17-6-4-5-9(17)8-16(2)3/h7,9H,4-6,8,14H2,1-3H3,(H,15,18)
InChIKeySMGDBWWXVULEIH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.22
Rot. Bonds4

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

3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide (PubChem CID 103421549) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
PubChem CID103421549
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC2CN(C)C)cc1N
InChIInChI=1S/C13H22N4OS/c1-15-13(18)12-10(14)7-11(19-12)17-6-4-5-9(17)8-16(2)3/h7,9H,4-6,8,14H2,1-3H3,(H,15,18)
InChIKeySMGDBWWXVULEIH-UHFFFAOYSA-N
XLogP1.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide (CID 103421549) is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCCC2CN(C)C)cc1N.
What is the InChIKey of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is SMGDBWWXVULEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-15-13(18)12-10(14)7-11(19-12)17-6-4-5-9(17)8-16(2)3/h7,9H,4-6,8,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide?
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.22, 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]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103421549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).