N,N-diethyl-1-benzothiophene-2-sulfinamide

C12H15NOS2 — CID 132571736

IUPACN,N-diethyl-1-benzothiophene-2-sulfinamide
SMILESCCN(CC)S(=O)c1cc2ccccc2s1
InChIInChI=1S/C12H15NOS2/c1-3-13(4-2)16(14)12-9-10-7-5-6-8-11(10)15-12/h5-9H,3-4H2,1-2H3
InChIKeyNBTLGMAOFAQLGZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.27
Rot. Bonds4

About N,N-diethyl-1-benzothiophene-2-sulfinamide

N,N-diethyl-1-benzothiophene-2-sulfinamide (PubChem CID 132571736) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N-diethyl-1-benzothiophene-2-sulfinamide.

Molecular Properties

Compound NameN,N-diethyl-1-benzothiophene-2-sulfinamide
PubChem CID132571736
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC NameN,N-diethyl-1-benzothiophene-2-sulfinamide
SMILESCCN(CC)S(=O)c1cc2ccccc2s1
InChIInChI=1S/C12H15NOS2/c1-3-13(4-2)16(14)12-9-10-7-5-6-8-11(10)15-12/h5-9H,3-4H2,1-2H3
InChIKeyNBTLGMAOFAQLGZ-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-benzothiophene-2-sulfinamide?
The IUPAC name of N,N-diethyl-1-benzothiophene-2-sulfinamide (CID 132571736) is N,N-diethyl-1-benzothiophene-2-sulfinamide.
What is the SMILES notation for N,N-diethyl-1-benzothiophene-2-sulfinamide?
The canonical SMILES for N,N-diethyl-1-benzothiophene-2-sulfinamide is CCN(CC)S(=O)c1cc2ccccc2s1.
What is the InChIKey of N,N-diethyl-1-benzothiophene-2-sulfinamide?
The InChIKey is NBTLGMAOFAQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-3-13(4-2)16(14)12-9-10-7-5-6-8-11(10)15-12/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1-benzothiophene-2-sulfinamide?
N,N-diethyl-1-benzothiophene-2-sulfinamide has a molecular weight of 253.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-benzothiophene-2-sulfinamide is sourced from PubChem (CID 132571736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).