N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide

C11H12Cl2N2OS2 — CID 107961735

IUPACN-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
SMILESNC(=S)CCN(C(=O)c1cc(Cl)sc1Cl)C1CC1
InChIInChI=1S/C11H12Cl2N2OS2/c12-8-5-7(10(13)18-8)11(16)15(6-1-2-6)4-3-9(14)17/h5-6H,1-4H2,(H2,14,17)
InChIKeyUBEAOMVWNNNCBH-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.34
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide (PubChem CID 107961735) has the molecular formula C11H12Cl2N2OS2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
PubChem CID107961735
Molecular FormulaC11H12Cl2N2OS2
Molecular Weight323.27 g/mol
Exact Mass321.98
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
SMILESNC(=S)CCN(C(=O)c1cc(Cl)sc1Cl)C1CC1
InChIInChI=1S/C11H12Cl2N2OS2/c12-8-5-7(10(13)18-8)11(16)15(6-1-2-6)4-3-9(14)17/h5-6H,1-4H2,(H2,14,17)
InChIKeyUBEAOMVWNNNCBH-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide (CID 107961735) is N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide is NC(=S)CCN(C(=O)c1cc(Cl)sc1Cl)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
The InChIKey is UBEAOMVWNNNCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS2/c12-8-5-7(10(13)18-8)11(16)15(6-1-2-6)4-3-9(14)17/h5-6H,1-4H2,(H2,14,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide is sourced from PubChem (CID 107961735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).