N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

C15H22N2O4S2 — CID 133139867

IUPACN-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCc1ccsc1C(=O)N1CC2(C1)OCCC2CCNS(C)(=O)=O
InChIInChI=1S/C15H22N2O4S2/c1-11-5-8-22-13(11)14(18)17-9-15(10-17)12(4-7-21-15)3-6-16-23(2,19)20/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3
InChIKeySJFIHUUFGATFRG-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.23
Rot. Bonds5

About N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 133139867) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
PubChem CID133139867
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC NameN-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCc1ccsc1C(=O)N1CC2(C1)OCCC2CCNS(C)(=O)=O
InChIInChI=1S/C15H22N2O4S2/c1-11-5-8-22-13(11)14(18)17-9-15(10-17)12(4-7-21-15)3-6-16-23(2,19)20/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3
InChIKeySJFIHUUFGATFRG-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 133139867) is N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is Cc1ccsc1C(=O)N1CC2(C1)OCCC2CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The InChIKey is SJFIHUUFGATFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-11-5-8-22-13(11)14(18)17-9-15(10-17)12(4-7-21-15)3-6-16-23(2,19)20/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 133139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).