4-methyl-N-propan-2-ylsulfinamoylaniline

C10H16N2OS — CID 143511598

IUPAC4-methyl-N-propan-2-ylsulfinamoylaniline
SMILESCc1ccc(NS(=O)NC(C)C)cc1
InChIInChI=1S/C10H16N2OS/c1-8(2)11-14(13)12-10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3
InChIKeyNXVYZFDWFKZZTL-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.98
Rot. Bonds4

About 4-methyl-N-propan-2-ylsulfinamoylaniline

4-methyl-N-propan-2-ylsulfinamoylaniline (PubChem CID 143511598) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylsulfinamoylaniline.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylsulfinamoylaniline
PubChem CID143511598
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-methyl-N-propan-2-ylsulfinamoylaniline
SMILESCc1ccc(NS(=O)NC(C)C)cc1
InChIInChI=1S/C10H16N2OS/c1-8(2)11-14(13)12-10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3
InChIKeyNXVYZFDWFKZZTL-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylsulfinamoylaniline?
The IUPAC name of 4-methyl-N-propan-2-ylsulfinamoylaniline (CID 143511598) is 4-methyl-N-propan-2-ylsulfinamoylaniline.
What is the SMILES notation for 4-methyl-N-propan-2-ylsulfinamoylaniline?
The canonical SMILES for 4-methyl-N-propan-2-ylsulfinamoylaniline is Cc1ccc(NS(=O)NC(C)C)cc1.
What is the InChIKey of 4-methyl-N-propan-2-ylsulfinamoylaniline?
The InChIKey is NXVYZFDWFKZZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)11-14(13)12-10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3.
What are the key properties of 4-methyl-N-propan-2-ylsulfinamoylaniline?
4-methyl-N-propan-2-ylsulfinamoylaniline has a molecular weight of 212.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylsulfinamoylaniline is sourced from PubChem (CID 143511598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).