1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene

C11H18N2O2S2 — CID 71851414

IUPAC1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O2S2/c1-9(2)16-11-8-6-5-7-10(11)12-17(14,15)13(3)4/h5-9,12H,1-4H3
InChIKeyPVVPWOJBIUJJOQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.41
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene

1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene (PubChem CID 71851414) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
PubChem CID71851414
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O2S2/c1-9(2)16-11-8-6-5-7-10(11)12-17(14,15)13(3)4/h5-9,12H,1-4H3
InChIKeyPVVPWOJBIUJJOQ-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
CID 43508162
propan-2-yl 2-(dimethylsulfamoylamino)benzoate
CID 133062998
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
CID 106057875
1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene
CID 71921337
2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene
CID 107802276
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene (CID 71851414) is 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene is CC(C)Sc1ccccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene?
The InChIKey is PVVPWOJBIUJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9(2)16-11-8-6-5-7-10(11)12-17(14,15)13(3)4/h5-9,12H,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene?
1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene has a molecular weight of 274.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 71851414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).