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

C11H18N4OS — CID 103421975

IUPAC3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
SMILESCN(C)C1CCN(c2cc(N)c(C(N)=O)s2)C1
InChIInChI=1S/C11H18N4OS/c1-14(2)7-3-4-15(6-7)9-5-8(12)10(17-9)11(13)16/h5,7H,3-4,6,12H2,1-2H3,(H2,13,16)
InChIKeySHKGSSJHKRUSQK-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.57
Rot. Bonds3

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

3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide (PubChem CID 103421975) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
PubChem CID103421975
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide
SMILESCN(C)C1CCN(c2cc(N)c(C(N)=O)s2)C1
InChIInChI=1S/C11H18N4OS/c1-14(2)7-3-4-15(6-7)9-5-8(12)10(17-9)11(13)16/h5,7H,3-4,6,12H2,1-2H3,(H2,13,16)
InChIKeySHKGSSJHKRUSQK-UHFFFAOYSA-N
XLogP0.57
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765
methyl 4-amino-5-carbamoyl-2-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 103421979
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421528
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-thiazol-3-amine
CID 103362838
3-amino-N,N-dimethyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507507
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
CID 106840059
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63174789
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide (CID 103421975) is 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide is CN(C)C1CCN(c2cc(N)c(C(N)=O)s2)C1.
What is the InChIKey of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide?
The InChIKey is SHKGSSJHKRUSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-14(2)7-3-4-15(6-7)9-5-8(12)10(17-9)11(13)16/h5,7H,3-4,6,12H2,1-2H3,(H2,13,16).
What are the key properties of 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide?
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103421975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).