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

C11H26N2O3S2 — CID 103835595

IUPAC1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCCCN(CCC)S(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H26N2O3S2/c1-5-7-13(8-6-2)18(15,16)12-9-11(3,14)10-17-4/h12,14H,5-10H2,1-4H3
InChIKeyDVAAAUODCGEGPE-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.06
Rot. Bonds10

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

1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane (PubChem CID 103835595) has the molecular formula C11H26N2O3S2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
PubChem CID103835595
Molecular FormulaC11H26N2O3S2
Molecular Weight298.47 g/mol
Exact Mass298.14
IUPAC Name1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCCCN(CCC)S(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H26N2O3S2/c1-5-7-13(8-6-2)18(15,16)12-9-11(3,14)10-17-4/h12,14H,5-10H2,1-4H3
InChIKeyDVAAAUODCGEGPE-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane (CID 103835595) is 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane is CCCN(CCC)S(=O)(=O)NCC(C)(O)CSC.
What is the InChIKey of 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is DVAAAUODCGEGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S2/c1-5-7-13(8-6-2)18(15,16)12-9-11(3,14)10-17-4/h12,14H,5-10H2,1-4H3.
What are the key properties of 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane?
1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 298.47 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoylamino)-2-hydroxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 103835595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).