ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide

C24H32N2O2S — CID 143642659

IUPACethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide
SMILESCC.CC(C)S(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2S.C2H6/c1-16(2)27(25)24-18-9-7-17(8-10-18)20-15-22(11-13-23-14-12-22)26-21-6-4-3-5-19(20)21;1-2/h3-10,15-16,23-24H,11-14H2,1-2H3;1-2H3
InChIKeyQFEDYFKEHHCORT-UHFFFAOYSA-N
MW412.60 g/mol
LogP5.14
Rot. Bonds4

About ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide

ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide (PubChem CID 143642659) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide.

Molecular Properties

Compound Nameethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide
PubChem CID143642659
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Nameethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide
SMILESCC.CC(C)S(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2S.C2H6/c1-16(2)27(25)24-18-9-7-17(8-10-18)20-15-22(11-13-23-14-12-22)26-21-6-4-3-5-19(20)21;1-2/h3-10,15-16,23-24H,11-14H2,1-2H3;1-2H3
InChIKeyQFEDYFKEHHCORT-UHFFFAOYSA-N
XLogP5.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
but-2-yne;ethane;(2S)-2-methylthiirane;S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143642554
N'-[amino-[4-(methanesulfinamido)butyl]amino]-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143304180
3-spiro[chromene-2,4'-piperidine]-4-ylbenzonitrile
CID 59674314
methyl 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propanoate
CID 59674678
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
N-[6-[amino-[(Z)-[amino-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methylidene]amino]amino]hexyl]acetamide
CID 143304267
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide?
The IUPAC name of ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide (CID 143642659) is ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide.
What is the SMILES notation for ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide?
The canonical SMILES for ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide is CC.CC(C)S(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide?
The InChIKey is QFEDYFKEHHCORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S.C2H6/c1-16(2)27(25)24-18-9-7-17(8-10-18)20-15-22(11-13-23-14-12-22)26-21-6-4-3-5-19(20)21;1-2/h3-10,15-16,23-24H,11-14H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide?
ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide has a molecular weight of 412.60 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide is sourced from PubChem (CID 143642659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).