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

C12H12N2OS3 — CID 80744881

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESNC(=S)C(NC(=O)c1cc2sccc2s1)C1CC1
InChIInChI=1S/C12H12N2OS3/c13-11(16)10(6-1-2-6)14-12(15)9-5-8-7(18-9)3-4-17-8/h3-6,10H,1-2H2,(H2,13,16)(H,14,15)
InChIKeyMGHKXODIAUTCJV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.76
Rot. Bonds4

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

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744881) has the molecular formula C12H12N2OS3 and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744881
Molecular FormulaC12H12N2OS3
Molecular Weight296.44 g/mol
Exact Mass296.01
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESNC(=S)C(NC(=O)c1cc2sccc2s1)C1CC1
InChIInChI=1S/C12H12N2OS3/c13-11(16)10(6-1-2-6)14-12(15)9-5-8-7(18-9)3-4-17-8/h3-6,10H,1-2H2,(H2,13,16)(H,14,15)
InChIKeyMGHKXODIAUTCJV-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[(2S)-1-oxo-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 2612847
N-[(2S)-2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 1723671
1-{Thieno[3,2-B]thiophene-2-carbonyl}piperazine
CID 71756202
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 93622100
3-cyclopropyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 94215254
N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]-3-methylthiophene-2-carboxamide
CID 95159242
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
N-(3-amino-2,2-difluoropropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113577670

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide (CID 80744881) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide is NC(=S)C(NC(=O)c1cc2sccc2s1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is MGHKXODIAUTCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS3/c13-11(16)10(6-1-2-6)14-12(15)9-5-8-7(18-9)3-4-17-8/h3-6,10H,1-2H2,(H2,13,16)(H,14,15).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).