methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate

C11H21NO3S — CID 134994492

IUPACmethyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate
SMILESCOS(=O)C(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-11(2,16(14)15-3)10(13)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyGUCQDAFOABWDRI-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.52
Rot. Bonds4

About methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate

methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate (PubChem CID 134994492) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate
PubChem CID134994492
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Namemethyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate
SMILESCOS(=O)C(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-11(2,16(14)15-3)10(13)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyGUCQDAFOABWDRI-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate?
The IUPAC name of methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate (CID 134994492) is methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate.
What is the SMILES notation for methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate?
The canonical SMILES for methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate is COS(=O)C(C)(C)C(=O)NC1CCCCC1.
What is the InChIKey of methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate?
The InChIKey is GUCQDAFOABWDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,16(14)15-3)10(13)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate?
methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate has a molecular weight of 247.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate is sourced from PubChem (CID 134994492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).