N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide

C11H16N2O2S2 — CID 81122322

IUPACN-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CC(N)=S)C(C)C
InChIInChI=1S/C11H16N2O2S2/c1-7(2)13(6-9(12)16)11(14)10-8(15-3)4-5-17-10/h4-5,7H,6H2,1-3H3,(H2,12,16)
InChIKeyORRGPMCUIUEEJC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.89
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 81122322) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
PubChem CID81122322
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CC(N)=S)C(C)C
InChIInChI=1S/C11H16N2O2S2/c1-7(2)13(6-9(12)16)11(14)10-8(15-3)4-5-17-10/h4-5,7H,6H2,1-3H3,(H2,12,16)
InChIKeyORRGPMCUIUEEJC-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81122323
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 81121564
2-[4-(3-methoxythiophene-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 81122141
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
CID 81126707
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
N-(2-amino-2-sulfanylideneethyl)-3,5-dibromo-N-propan-2-ylbenzamide
CID 107972248
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 81122517
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 54998473

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide (CID 81122322) is N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide is COc1ccsc1C(=O)N(CC(N)=S)C(C)C.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is ORRGPMCUIUEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7(2)13(6-9(12)16)11(14)10-8(15-3)4-5-17-10/h4-5,7H,6H2,1-3H3,(H2,12,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 81122322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).