[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane

C12H26N2O3S2 — CID 103835640

IUPAC[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane
SMILESCSCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H26N2O3S2/c1-12(15,10-18-3)9-13-19(16,17)14(2)11-7-5-4-6-8-11/h11,13,15H,4-10H2,1-3H3
InChIKeyULSIELRPCKKLGO-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.20
Rot. Bonds7

About [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane

[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 103835640) has the molecular formula C12H26N2O3S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane
PubChem CID103835640
Molecular FormulaC12H26N2O3S2
Molecular Weight310.49 g/mol
Exact Mass310.14
IUPAC Name[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane
SMILESCSCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H26N2O3S2/c1-12(15,10-18-3)9-13-19(16,17)14(2)11-7-5-4-6-8-11/h11,13,15H,4-10H2,1-3H3
InChIKeyULSIELRPCKKLGO-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane (CID 103835640) is [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane is CSCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is ULSIELRPCKKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S2/c1-12(15,10-18-3)9-13-19(16,17)14(2)11-7-5-4-6-8-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane?
[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 310.49 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 103835640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).