[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H21NO6S — CID 3242171

IUPAC[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21NO6S/c21-18(20-10-8-19(9-11-20)24-12-13-25-19)17-7-6-15(26-17)14-27(22,23)16-4-2-1-3-5-16/h1-7H,8-14H2
InChIKeyRTKFVHWSNZTXBW-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.23
Rot. Bonds4

About [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 3242171) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID3242171
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21NO6S/c21-18(20-10-8-19(9-11-20)24-12-13-25-19)17-7-6-15(26-17)14-27(22,23)16-4-2-1-3-5-16/h1-7H,8-14H2
InChIKeyRTKFVHWSNZTXBW-UHFFFAOYSA-N
XLogP2.23
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Furoyl)-4-[(phenylthio)acetyl]piperazine
CID 839099
8-(5-{[(3-Methylbenzyl)sulfonyl]methyl}-2-furoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 3236421
N-(2-methoxyethyl)-5-[(phenylsulfonyl)methyl]-2-furamide
CID 3239466
8-(5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 3241062
Ethyl 4-(5-{[(2-methoxyphenyl)sulfonyl]methyl}-2-furoyl)piperazine-1-carboxylate
CID 3241575
1-(Furan-2-carbonyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
CID 3593668
1-[5-[(4-Methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 3593873
N-cyclohexyl-N-methyl-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 4521270
5-[(4-methoxyphenyl)sulfonylmethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4682093
N-(2-furylmethyl)-5-{[(4-methoxyphenyl)sulfonyl]methyl}-2-furamide
CID 5307390
Ethyl 1-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 5307414
(5-{[(4-Methoxyphenyl)sulfonyl]methyl}-2-furyl)(1-pyrrolidinyl)methanone
CID 5307714

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 3242171) is [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is RTKFVHWSNZTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c21-18(20-10-8-19(9-11-20)24-12-13-25-19)17-7-6-15(26-17)14-27(22,23)16-4-2-1-3-5-16/h1-7H,8-14H2.
What are the key properties of [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 391.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 3242171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).