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

C14H20N2O5S — CID 124783932

IUPACN-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C14H20N2O5S/c1-22(18,19)15-5-2-12-4-7-21-14(12)9-16(10-14)13(17)11-3-6-20-8-11/h3,6,8,12,15H,2,4-5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyVYLSZOLJTPZVOX-LBPRGKRZSA-N
MW328.39 g/mol
LogP0.45
Rot. Bonds5

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

N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (PubChem CID 124783932) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
PubChem CID124783932
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C14H20N2O5S/c1-22(18,19)15-5-2-12-4-7-21-14(12)9-16(10-14)13(17)11-3-6-20-8-11/h3,6,8,12,15H,2,4-5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyVYLSZOLJTPZVOX-LBPRGKRZSA-N
XLogP0.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131655373
N-[2-[2-(4-chlorobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133142384
N-[2-[2-(3-methylthiophene-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139867
N-[2-[2-(1-benzofuran-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133139860
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133140449
N-[2-[(3aS,7aR)-5-(furan-3-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 97476498
N-[2-[(8R)-2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124781701
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219
[(8S)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-naphthalen-2-ylmethanone
CID 124790508
N-[[(3aR,6aS)-5-(furan-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124782763
(3-methylfuran-2-yl)-[(8R)-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912988
N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide
CID 131691995

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide (CID 124783932) is N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)c1ccoc1)C2.
What is the InChIKey of N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
The InChIKey is VYLSZOLJTPZVOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-22(18,19)15-5-2-12-4-7-21-14(12)9-16(10-14)13(17)11-3-6-20-8-11/h3,6,8,12,15H,2,4-5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide?
N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8S)-2-(furan-3-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).