ethane;4-(methylaminomethyl)benzenesulfinamide

C12H24N2OS — CID 144618291

IUPACethane;4-(methylaminomethyl)benzenesulfinamide
SMILESCC.CC.CNCc1ccc(S(N)=O)cc1
InChIInChI=1S/C8H12N2OS.2C2H6/c1-10-6-7-2-4-8(5-3-7)12(9)11;2*1-2/h2-5,10H,6,9H2,1H3;2*1-2H3
InChIKeyRSIUXDGULQRKTK-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.44
Rot. Bonds3

About ethane;4-(methylaminomethyl)benzenesulfinamide

ethane;4-(methylaminomethyl)benzenesulfinamide (PubChem CID 144618291) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is ethane;4-(methylaminomethyl)benzenesulfinamide.

Molecular Properties

Compound Nameethane;4-(methylaminomethyl)benzenesulfinamide
PubChem CID144618291
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Nameethane;4-(methylaminomethyl)benzenesulfinamide
SMILESCC.CC.CNCc1ccc(S(N)=O)cc1
InChIInChI=1S/C8H12N2OS.2C2H6/c1-10-6-7-2-4-8(5-3-7)12(9)11;2*1-2/h2-5,10H,6,9H2,1H3;2*1-2H3
InChIKeyRSIUXDGULQRKTK-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(methylaminomethyl)benzenesulfinamide?
The IUPAC name of ethane;4-(methylaminomethyl)benzenesulfinamide (CID 144618291) is ethane;4-(methylaminomethyl)benzenesulfinamide.
What is the SMILES notation for ethane;4-(methylaminomethyl)benzenesulfinamide?
The canonical SMILES for ethane;4-(methylaminomethyl)benzenesulfinamide is CC.CC.CNCc1ccc(S(N)=O)cc1.
What is the InChIKey of ethane;4-(methylaminomethyl)benzenesulfinamide?
The InChIKey is RSIUXDGULQRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.2C2H6/c1-10-6-7-2-4-8(5-3-7)12(9)11;2*1-2/h2-5,10H,6,9H2,1H3;2*1-2H3.
What are the key properties of ethane;4-(methylaminomethyl)benzenesulfinamide?
ethane;4-(methylaminomethyl)benzenesulfinamide has a molecular weight of 244.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methylaminomethyl)benzenesulfinamide is sourced from PubChem (CID 144618291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).