N,N-diethyl-4-methylbenzenesulfinamide

C11H17NOS — CID 10798558

IUPACN,N-diethyl-4-methylbenzenesulfinamide
SMILESCCN(CC)S(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NOS/c1-4-12(5-2)14(13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyBIUBQOVFJWRWOC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.36
Rot. Bonds4

About N,N-diethyl-4-methylbenzenesulfinamide

N,N-diethyl-4-methylbenzenesulfinamide (PubChem CID 10798558) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N,N-diethyl-4-methylbenzenesulfinamide.

Molecular Properties

Compound NameN,N-diethyl-4-methylbenzenesulfinamide
PubChem CID10798558
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN,N-diethyl-4-methylbenzenesulfinamide
SMILESCCN(CC)S(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NOS/c1-4-12(5-2)14(13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyBIUBQOVFJWRWOC-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylbenzenesulfinamide?
The IUPAC name of N,N-diethyl-4-methylbenzenesulfinamide (CID 10798558) is N,N-diethyl-4-methylbenzenesulfinamide.
What is the SMILES notation for N,N-diethyl-4-methylbenzenesulfinamide?
The canonical SMILES for N,N-diethyl-4-methylbenzenesulfinamide is CCN(CC)S(=O)c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-4-methylbenzenesulfinamide?
The InChIKey is BIUBQOVFJWRWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-12(5-2)14(13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-methylbenzenesulfinamide?
N,N-diethyl-4-methylbenzenesulfinamide has a molecular weight of 211.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylbenzenesulfinamide is sourced from PubChem (CID 10798558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).