3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide

C12H19N3OS — CID 103509765

IUPAC3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCC1CCN(c2cc(N)c(C(=O)N(C)C)s2)C1
InChIInChI=1S/C12H19N3OS/c1-8-4-5-15(7-8)10-6-9(13)11(17-10)12(16)14(2)3/h6,8H,4-5,7,13H2,1-3H3
InChIKeyRBCFJIPVJZSWDD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.88
Rot. Bonds2

About 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide

3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide (PubChem CID 103509765) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
PubChem CID103509765
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCC1CCN(c2cc(N)c(C(=O)N(C)C)s2)C1
InChIInChI=1S/C12H19N3OS/c1-8-4-5-15(7-8)10-6-9(13)11(17-10)12(16)14(2)3/h6,8H,4-5,7,13H2,1-3H3
InChIKeyRBCFJIPVJZSWDD-UHFFFAOYSA-N
XLogP1.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507507
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
CID 106840059
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421975
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506581
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103509806
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103418556
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide (CID 103509765) is 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide is CC1CCN(c2cc(N)c(C(=O)N(C)C)s2)C1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
The InChIKey is RBCFJIPVJZSWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-5-15(7-8)10-6-9(13)11(17-10)12(16)14(2)3/h6,8H,4-5,7,13H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103509765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).