N-methyl-2-propylbenzenesulfinamide

C10H15NOS — CID 144853680

IUPACN-methyl-2-propylbenzenesulfinamide
SMILESCCCc1ccccc1S(=O)NC
InChIInChI=1S/C10H15NOS/c1-3-6-9-7-4-5-8-10(9)13(12)11-2/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyIOKUEISROBLKEH-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.88
Rot. Bonds4

About N-methyl-2-propylbenzenesulfinamide

N-methyl-2-propylbenzenesulfinamide (PubChem CID 144853680) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-methyl-2-propylbenzenesulfinamide.

Molecular Properties

Compound NameN-methyl-2-propylbenzenesulfinamide
PubChem CID144853680
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-methyl-2-propylbenzenesulfinamide
SMILESCCCc1ccccc1S(=O)NC
InChIInChI=1S/C10H15NOS/c1-3-6-9-7-4-5-8-10(9)13(12)11-2/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyIOKUEISROBLKEH-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propylbenzenesulfinamide?
The IUPAC name of N-methyl-2-propylbenzenesulfinamide (CID 144853680) is N-methyl-2-propylbenzenesulfinamide.
What is the SMILES notation for N-methyl-2-propylbenzenesulfinamide?
The canonical SMILES for N-methyl-2-propylbenzenesulfinamide is CCCc1ccccc1S(=O)NC.
What is the InChIKey of N-methyl-2-propylbenzenesulfinamide?
The InChIKey is IOKUEISROBLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-6-9-7-4-5-8-10(9)13(12)11-2/h4-5,7-8,11H,3,6H2,1-2H3.
What are the key properties of N-methyl-2-propylbenzenesulfinamide?
N-methyl-2-propylbenzenesulfinamide has a molecular weight of 197.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propylbenzenesulfinamide is sourced from PubChem (CID 144853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).