3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide

C11H17N3OS — CID 103507392

IUPAC3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
SMILESC=C(C)CNc1cc(N)c(C(=O)N(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-7(2)6-13-9-5-8(12)10(16-9)11(15)14(3)4/h5,13H,1,6,12H2,2-4H3
InChIKeyQNBVNNUYMGHRHC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide

3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide (PubChem CID 103507392) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
PubChem CID103507392
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
SMILESC=C(C)CNc1cc(N)c(C(=O)N(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-7(2)6-13-9-5-8(12)10(16-9)11(15)14(3)4/h5,13H,1,6,12H2,2-4H3
InChIKeyQNBVNNUYMGHRHC-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 106901131
3-amino-N,N-dimethyl-5-(2-piperidin-1-ylethylamino)thiophene-2-carboxamide
CID 103508614
3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106413075
3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526087
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103526272
3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
CID 103417381
4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide
CID 114615222
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
CID 103508810
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide (CID 103507392) is 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide is C=C(C)CNc1cc(N)c(C(=O)N(C)C)s1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
The InChIKey is QNBVNNUYMGHRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)6-13-9-5-8(12)10(16-9)11(15)14(3)4/h5,13H,1,6,12H2,2-4H3.
What are the key properties of 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103507392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).