N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

C17H26N2O4S — CID 131663425

IUPACN-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOC2(CCN(Cc3ccco3)CC2)C1)C1CC1
InChIInChI=1S/C17H26N2O4S/c20-24(21,16-3-4-16)18-14-5-11-23-17(12-14)6-8-19(9-7-17)13-15-2-1-10-22-15/h1-2,10,14,16,18H,3-9,11-13H2
InChIKeyOFAHYJQZZOERRN-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.88
Rot. Bonds5

About N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide

N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (PubChem CID 131663425) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
PubChem CID131663425
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCOC2(CCN(Cc3ccco3)CC2)C1)C1CC1
InChIInChI=1S/C17H26N2O4S/c20-24(21,16-3-4-16)18-14-5-11-23-17(12-14)6-8-19(9-7-17)13-15-2-1-10-22-15/h1-2,10,14,16,18H,3-9,11-13H2
InChIKeyOFAHYJQZZOERRN-UHFFFAOYSA-N
XLogP1.88
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 1444953
N-(2-furylmethyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3240967
2-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide
CID 45479981
1-Phenylmethanesulfonyl-piperidine-3-carboxylic acid (furan-2-ylmethyl)-amide
CID 3230710
1-(ethylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3242556
1-(4-fluorophenyl)-N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)methanesulfonamide
CID 16888252
N-benzyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 45479980
2-(furan-2-ylmethylamino)-N-[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 45479982
N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 45479983
N-[(4aS,8R,8aS)-6-(furan-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
CID 97364528
N-[(4aS,8R,8aS)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
CID 97364530
(3aR,6S,7aR)-4-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380429

Frequently Asked Questions

What is the IUPAC name of N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide (CID 131663425) is N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCOC2(CCN(Cc3ccco3)CC2)C1)C1CC1.
What is the InChIKey of N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
The InChIKey is OFAHYJQZZOERRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c20-24(21,16-3-4-16)18-14-5-11-23-17(12-14)6-8-19(9-7-17)13-15-2-1-10-22-15/h1-2,10,14,16,18H,3-9,11-13H2.
What are the key properties of N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide?
N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 131663425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).