1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane

C7H18N2O3S2 — CID 103835643

IUPAC1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCSCC(C)(O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O3S2/c1-7(10,6-13-4)5-8-14(11,12)9(2)3/h8,10H,5-6H2,1-4H3
InChIKeyNRNAMPPULVVHHU-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.50
Rot. Bonds6

About 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane

1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane (PubChem CID 103835643) has the molecular formula C7H18N2O3S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
PubChem CID103835643
Molecular FormulaC7H18N2O3S2
Molecular Weight242.37 g/mol
Exact Mass242.08
IUPAC Name1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCSCC(C)(O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O3S2/c1-7(10,6-13-4)5-8-14(11,12)9(2)3/h8,10H,5-6H2,1-4H3
InChIKeyNRNAMPPULVVHHU-UHFFFAOYSA-N
XLogP-0.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane (CID 103835643) is 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane is CSCC(C)(O)CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is NRNAMPPULVVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S2/c1-7(10,6-13-4)5-8-14(11,12)9(2)3/h8,10H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 242.37 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 103835643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).