(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone

C24H24N2O3S2 — CID 5222252

IUPAC(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCSC12CCN(S(=O)(=O)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C24H24N2O3S2/c27-23(20-7-2-1-3-8-20)26-16-17-30-24(26)12-14-25(15-13-24)31(28,29)22-11-10-19-6-4-5-9-21(19)18-22/h1-11,18H,12-17H2
InChIKeyLZRXAJBZJVYGAC-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.21
Rot. Bonds3

About (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone

(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone (PubChem CID 5222252) has the molecular formula C24H24N2O3S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone
PubChem CID5222252
Molecular FormulaC24H24N2O3S2
Molecular Weight452.60 g/mol
Exact Mass452.12
IUPAC Name(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCSC12CCN(S(=O)(=O)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C24H24N2O3S2/c27-23(20-7-2-1-3-8-20)26-16-17-30-24(26)12-14-25(15-13-24)31(28,29)22-11-10-19-6-4-5-9-21(19)18-22/h1-11,18H,12-17H2
InChIKeyLZRXAJBZJVYGAC-UHFFFAOYSA-N
XLogP4.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-(3-nitrophenyl)methanone
CID 3566941
[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(3-nitrophenyl)methanone
CID 3484505
(4-bromophenyl)-[8-(4-fluorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4551936
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
[8-(4-chlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methylphenyl)methanone
CID 3959670
(2-chlorophenyl)-[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4554146
(3-fluorophenyl)-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 3398412
[8-(2,5-dichlorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
CID 3273614
[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-naphthalen-2-ylmethanone
CID 4024837
(8-benzylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-(3-methylphenyl)methanone
CID 4652657
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
1-[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-2-methylpropan-1-one
CID 3981006

Frequently Asked Questions

What is the IUPAC name of (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone?
The IUPAC name of (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone (CID 5222252) is (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone.
What is the SMILES notation for (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone?
The canonical SMILES for (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone is O=C(c1ccccc1)N1CCSC12CCN(S(=O)(=O)c1ccc3ccccc3c1)CC2.
What is the InChIKey of (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone?
The InChIKey is LZRXAJBZJVYGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S2/c27-23(20-7-2-1-3-8-20)26-16-17-30-24(26)12-14-25(15-13-24)31(28,29)22-11-10-19-6-4-5-9-21(19)18-22/h1-11,18H,12-17H2.
What are the key properties of (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone?
(8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone has a molecular weight of 452.60 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-naphthalen-2-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-phenylmethanone is sourced from PubChem (CID 5222252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).