3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide

C14H21N3O3S — CID 103417307

IUPAC3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCC(C)(O)C2)c(OC)c1N
InChIInChI=1S/C14H21N3O3S/c1-4-6-16-12(18)11-9(15)10(20-3)13(21-11)17-7-5-14(2,19)8-17/h4,19H,1,5-8,15H2,2-3H3,(H,16,18)
InChIKeyWMWWKOOSUGAZAX-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.22
Rot. Bonds5

About 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103417307) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103417307
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCC(C)(O)C2)c(OC)c1N
InChIInChI=1S/C14H21N3O3S/c1-4-6-16-12(18)11-9(15)10(20-3)13(21-11)17-7-5-14(2,19)8-17/h4,19H,1,5-8,15H2,2-3H3,(H,16,18)
InChIKeyWMWWKOOSUGAZAX-UHFFFAOYSA-N
XLogP1.22
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419320
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-N-ethyl-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103417310
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103506582
1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one
CID 103505516
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
methyl 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-propanoylthiophene-3-carboxylate
CID 103417361
3-amino-4-cyano-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419340
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide (CID 103417307) is 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N2CCC(C)(O)C2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is WMWWKOOSUGAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-6-16-12(18)11-9(15)10(20-3)13(21-11)17-7-5-14(2,19)8-17/h4,19H,1,5-8,15H2,2-3H3,(H,16,18).
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103417307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).