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

C15H24N4OS — CID 103421513

IUPAC3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCCC2CN(C)C)cc1N
InChIInChI=1S/C15H24N4OS/c1-4-7-17-15(20)14-12(16)9-13(21-14)19-8-5-6-11(19)10-18(2)3/h4,9,11H,1,5-8,10,16H2,2-3H3,(H,17,20)
InChIKeyFYRFXBBJKKALAP-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.78
Rot. Bonds6

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

3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103421513) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103421513
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCCC2CN(C)C)cc1N
InChIInChI=1S/C15H24N4OS/c1-4-7-17-15(20)14-12(16)9-13(21-14)19-8-5-6-11(19)10-18(2)3/h4,9,11H,1,5-8,10,16H2,2-3H3,(H,17,20)
InChIKeyFYRFXBBJKKALAP-UHFFFAOYSA-N
XLogP1.78
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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]thiophene-2-carboxamide
CID 103421528
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422110
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509596
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103506582
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 82796247
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
methyl 3-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoate
CID 62889597
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
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-2,4-dicarboxamide
CID 103421525

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide (CID 103421513) is 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N2CCCC2CN(C)C)cc1N.
What is the InChIKey of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is FYRFXBBJKKALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-7-17-15(20)14-12(16)9-13(21-14)19-8-5-6-11(19)10-18(2)3/h4,9,11H,1,5-8,10,16H2,2-3H3,(H,17,20).
What are the key properties of 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.78, 6 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-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103421513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).