N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

C14H22N2O4S — CID 133140449

IUPACN-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCOC12CN(Cc1ccco1)C2
InChIInChI=1S/C14H22N2O4S/c1-21(17,18)15-6-4-12-5-8-20-14(12)10-16(11-14)9-13-3-2-7-19-13/h2-3,7,12,15H,4-6,8-11H2,1H3
InChIKeyGZDIFBSAGQOHFT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.81
Rot. Bonds6

About N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide

N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 133140449) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
PubChem CID133140449
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCOC12CN(Cc1ccco1)C2
InChIInChI=1S/C14H22N2O4S/c1-21(17,18)15-6-4-12-5-8-20-14(12)10-16(11-14)9-13-3-2-7-19-13/h2-3,7,12,15H,4-6,8-11H2,1H3
InChIKeyGZDIFBSAGQOHFT-UHFFFAOYSA-N
XLogP0.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]benzenesulfonamide
CID 131677257
N-[2-[(8R)-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 124912928
N-[2-[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131645199
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219
3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
CID 131650386
N-[2-[(8R)-2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124781701
N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124783932
8-[2-(cyclopropylmethoxy)ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862381
N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133142384
N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139860
N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139867
2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
CID 131663415

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 133140449) is N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCOC12CN(Cc1ccco1)C2.
What is the InChIKey of N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The InChIKey is GZDIFBSAGQOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-21(17,18)15-6-4-12-5-8-20-14(12)10-16(11-14)9-13-3-2-7-19-13/h2-3,7,12,15H,4-6,8-11H2,1H3.
What are the key properties of N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 133140449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).