methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane

C9H19NO2S — CID 172535725

IUPACmethyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane
SMILESCC(C)[S@@](C)(=O)=NC1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(3,11)10-9-4-6-12-7-5-9/h8-9H,4-7H2,1-3H3/t13-/m1/s1
InChIKeySRMKKMNPXGSZHF-CYBMUJFWSA-N
MW205.32 g/mol
LogP1.67
Rot. Bonds2

About methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane

methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane (PubChem CID 172535725) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Namemethyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane
PubChem CID172535725
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Namemethyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane
SMILESCC(C)[S@@](C)(=O)=NC1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(3,11)10-9-4-6-12-7-5-9/h8-9H,4-7H2,1-3H3/t13-/m1/s1
InChIKeySRMKKMNPXGSZHF-CYBMUJFWSA-N
XLogP1.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane (CID 172535725) is methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane is CC(C)[S@@](C)(=O)=NC1CCOCC1.
What is the InChIKey of methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is SRMKKMNPXGSZHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)13(3,11)10-9-4-6-12-7-5-9/h8-9H,4-7H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane?
methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 205.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(oxan-4-ylimino)-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 172535725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).