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

C9H22N2O3S2 — CID 103835651

IUPAC1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCCN(CC)S(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C9H22N2O3S2/c1-5-11(6-2)16(13,14)10-7-9(3,12)8-15-4/h10,12H,5-8H2,1-4H3
InChIKeyCDDDTICUAUFTTB-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.28
Rot. Bonds8

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

1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane (PubChem CID 103835651) has the molecular formula C9H22N2O3S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
PubChem CID103835651
Molecular FormulaC9H22N2O3S2
Molecular Weight270.42 g/mol
Exact Mass270.11
IUPAC Name1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCCN(CC)S(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C9H22N2O3S2/c1-5-11(6-2)16(13,14)10-7-9(3,12)8-15-4/h10,12H,5-8H2,1-4H3
InChIKeyCDDDTICUAUFTTB-UHFFFAOYSA-N
XLogP0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane (CID 103835651) is 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane is CCN(CC)S(=O)(=O)NCC(C)(O)CSC.
What is the InChIKey of 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is CDDDTICUAUFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S2/c1-5-11(6-2)16(13,14)10-7-9(3,12)8-15-4/h10,12H,5-8H2,1-4H3.
What are the key properties of 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 270.42 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 103835651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).