4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene

C12H20N2O2S — CID 3763288

IUPAC4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene
SMILESCc1cc(NS(=O)(=O)N(C)C)ccc1C(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)12-7-6-11(8-10(12)3)13-17(15,16)14(4)5/h6-9,13H,1-5H3
InChIKeyPKPBYXIZLNXVOK-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.34
Rot. Bonds4

About 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene

4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene (PubChem CID 3763288) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene
PubChem CID3763288
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene
SMILESCc1cc(NS(=O)(=O)N(C)C)ccc1C(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)12-7-6-11(8-10(12)3)13-17(15,16)14(4)5/h6-9,13H,1-5H3
InChIKeyPKPBYXIZLNXVOK-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene?
The IUPAC name of 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene (CID 3763288) is 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene is Cc1cc(NS(=O)(=O)N(C)C)ccc1C(C)C.
What is the InChIKey of 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene?
The InChIKey is PKPBYXIZLNXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)12-7-6-11(8-10(12)3)13-17(15,16)14(4)5/h6-9,13H,1-5H3.
What are the key properties of 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene?
4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene has a molecular weight of 256.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-2-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 3763288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).