N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide

C11H16N2O2S2 — CID 81122323

IUPACN-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(CC(N)=S)C(C)C)c1
InChIInChI=1S/C11H16N2O2S2/c1-7(2)13(5-10(12)16)11(14)9-4-8(15-3)6-17-9/h4,6-7H,5H2,1-3H3,(H2,12,16)
InChIKeyZFNJPICSSDDKQV-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.89
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 81122323) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide
PubChem CID81122323
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(CC(N)=S)C(C)C)c1
InChIInChI=1S/C11H16N2O2S2/c1-7(2)13(5-10(12)16)11(14)9-4-8(15-3)6-17-9/h4,6-7H,5H2,1-3H3,(H2,12,16)
InChIKeyZFNJPICSSDDKQV-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-(4-amino-4-sulfanylidenebutan-2-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81121733
4-[(4-methoxythiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 81117101
N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81122322
4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 81118506
N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81124563
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 65215567
(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 129469228
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81121736
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
N-(2-amino-2-sulfanylideneethyl)-3,5-dibromo-N-propan-2-ylbenzamide
CID 107972248
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide (CID 81122323) is N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide is COc1csc(C(=O)N(CC(N)=S)C(C)C)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is ZFNJPICSSDDKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7(2)13(5-10(12)16)11(14)9-4-8(15-3)6-17-9/h4,6-7H,5H2,1-3H3,(H2,12,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-4-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)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 81122323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).