N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide

C11H14N2OS2 — CID 80744721

IUPACN-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)(CN)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C11H14N2OS2/c1-11(2,6-12)13-10(14)9-5-8-7(16-9)3-4-15-8/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyDLGSOUXMLDOFOT-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.43
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide

N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744721) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744721
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)(CN)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C11H14N2OS2/c1-11(2,6-12)13-10(14)9-5-8-7(16-9)3-4-15-8/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyDLGSOUXMLDOFOT-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
5-ethyl-N-(2-thienylmethyl)-2-thiophenecarboxamide
CID 1245502
n-(1-(Thiophen-2-yl)propan-2-yl)thiophene-2-carboxamide
CID 5105834
1-{Thieno[3,2-b]thiophene-2-carbonyl}piperazine hydrochloride
CID 71756201
N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 4786469
Pyrrolidin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
CID 11085814
N-[(2S)-2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 1723671
1-{Thieno[3,2-B]thiophene-2-carbonyl}piperazine
CID 71756202
N,N-diethylthieno[3,2-b]thiophene-5-carboxamide
CID 2739961
N-benzylthieno[3,2-b]thiophene-5-carboxamide
CID 2739962
4-(thieno[3,2-b]thiophene-5-carbonyl)-N-[(2R)-2,3,3-trimethylbutyl]piperazine-1-carboxamide
CID 167530397

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide (CID 80744721) is N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide is CC(C)(CN)NC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is DLGSOUXMLDOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-11(2,6-12)13-10(14)9-5-8-7(16-9)3-4-15-8/h3-5H,6,12H2,1-2H3,(H,13,14).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).