N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide

C7H15NO3S2 — CID 71804881

IUPACN-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide
SMILESCOC1(CNS(C)(=O)=O)CCSC1
InChIInChI=1S/C7H15NO3S2/c1-11-7(3-4-12-6-7)5-8-13(2,9)10/h8H,3-6H2,1-2H3
InChIKeyYOGNCLSBENXVAC-UHFFFAOYSA-N
MW225.33 g/mol
LogP0.06
Rot. Bonds4

About N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide

N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide (PubChem CID 71804881) has the molecular formula C7H15NO3S2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide
PubChem CID71804881
Molecular FormulaC7H15NO3S2
Molecular Weight225.33 g/mol
Exact Mass225.05
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide
SMILESCOC1(CNS(C)(=O)=O)CCSC1
InChIInChI=1S/C7H15NO3S2/c1-11-7(3-4-12-6-7)5-8-13(2,9)10/h8H,3-6H2,1-2H3
InChIKeyYOGNCLSBENXVAC-UHFFFAOYSA-N
XLogP0.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide (CID 71804881) is N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide is COC1(CNS(C)(=O)=O)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide?
The InChIKey is YOGNCLSBENXVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S2/c1-11-7(3-4-12-6-7)5-8-13(2,9)10/h8H,3-6H2,1-2H3.
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide?
N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide has a molecular weight of 225.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71804881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).