N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine

C31H31N3O4S — CID 143985182

IUPACN-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCN2N(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H31N3O4S/c35-34(29-15-11-27(12-16-29)25-7-3-1-4-8-25)33-23-24-38-31(33)19-21-32(22-20-31)39(36,37)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-18,35H,19-24H2
InChIKeyJIZBAWRRYNVEBB-UHFFFAOYSA-N
MW541.67 g/mol
LogP5.64
Rot. Bonds6

About N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine

N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine (PubChem CID 143985182) has the molecular formula C31H31N3O4S and a molecular weight of 541.67 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine
PubChem CID143985182
Molecular FormulaC31H31N3O4S
Molecular Weight541.67 g/mol
Exact Mass541.20
IUPAC NameN-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCN2N(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H31N3O4S/c35-34(29-15-11-27(12-16-29)25-7-3-1-4-8-25)33-23-24-38-31(33)19-21-32(22-20-31)39(36,37)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-18,35H,19-24H2
InChIKeyJIZBAWRRYNVEBB-UHFFFAOYSA-N
XLogP5.64
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.67
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine 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

2-[8-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-1-phenylethanone
CID 58245188
4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
CID 59565071
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzoic acid
CID 23884260
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
1-benzhydryl-4-(4-phenylphenyl)sulfonylpiperazin-1-ium
CID 6964679
2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
CID 25147241
ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
CID 3809262
8-(4-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830285

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine?
The IUPAC name of N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine (CID 143985182) is N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine?
The canonical SMILES for N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCN2N(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine?
The InChIKey is JIZBAWRRYNVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O4S/c35-34(29-15-11-27(12-16-29)25-7-3-1-4-8-25)33-23-24-38-31(33)19-21-32(22-20-31)39(36,37)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-18,35H,19-24H2.
What are the key properties of N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine?
N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine has a molecular weight of 541.67 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[8-(4-phenylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]hydroxylamine is sourced from PubChem (CID 143985182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).