4-[methyl(propan-2-yl)amino]benzenesulfinamide

C10H16N2OS — CID 146611154

IUPAC4-[methyl(propan-2-yl)amino]benzenesulfinamide
SMILESCC(C)N(C)c1ccc(S(N)=O)cc1
InChIInChI=1S/C10H16N2OS/c1-8(2)12(3)9-4-6-10(7-5-9)14(11)13/h4-8H,11H2,1-3H3
InChIKeyRALIMKULQWQBTN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.51
Rot. Bonds3

About 4-[methyl(propan-2-yl)amino]benzenesulfinamide

4-[methyl(propan-2-yl)amino]benzenesulfinamide (PubChem CID 146611154) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]benzenesulfinamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]benzenesulfinamide
PubChem CID146611154
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[methyl(propan-2-yl)amino]benzenesulfinamide
SMILESCC(C)N(C)c1ccc(S(N)=O)cc1
InChIInChI=1S/C10H16N2OS/c1-8(2)12(3)9-4-6-10(7-5-9)14(11)13/h4-8H,11H2,1-3H3
InChIKeyRALIMKULQWQBTN-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]benzenesulfinamide?
The IUPAC name of 4-[methyl(propan-2-yl)amino]benzenesulfinamide (CID 146611154) is 4-[methyl(propan-2-yl)amino]benzenesulfinamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]benzenesulfinamide?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]benzenesulfinamide is CC(C)N(C)c1ccc(S(N)=O)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]benzenesulfinamide?
The InChIKey is RALIMKULQWQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)12(3)9-4-6-10(7-5-9)14(11)13/h4-8H,11H2,1-3H3.
What are the key properties of 4-[methyl(propan-2-yl)amino]benzenesulfinamide?
4-[methyl(propan-2-yl)amino]benzenesulfinamide has a molecular weight of 212.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]benzenesulfinamide is sourced from PubChem (CID 146611154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).