N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide

C12H16N2OS2 — CID 80733761

IUPACN-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESCNCCCN(C)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H16N2OS2/c1-13-5-3-6-14(2)12(15)11-8-10-9(17-11)4-7-16-10/h4,7-8,13H,3,5-6H2,1-2H3
InChIKeyOOWFLQCWWDVZJG-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide

N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80733761) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80733761
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESCNCCCN(C)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H16N2OS2/c1-13-5-3-6-14(2)12(15)11-8-10-9(17-11)4-7-16-10/h4,7-8,13H,3,5-6H2,1-2H3
InChIKeyOOWFLQCWWDVZJG-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 80744655
N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660
3-[tert-butyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80734116
N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745480
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717
2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]butanoic acid
CID 80734197
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78967977

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide (CID 80733761) is N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide is CNCCCN(C)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is OOWFLQCWWDVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-13-5-3-6-14(2)12(15)11-8-10-9(17-11)4-7-16-10/h4,7-8,13H,3,5-6H2,1-2H3.
What are the key properties of N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide?
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80733761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).