(2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide

C19H27NO3S — CID 100642346

IUPAC(2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide
SMILESCC(C)(C)CN(C(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccccc1
InChIInChI=1S/C19H27NO3S/c1-18(2,3)14-20(15-7-5-4-6-8-15)17(21)16-13-19(16)9-11-24(22,23)12-10-19/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1
InChIKeyWEGITWKMMIFPCU-MRXNPFEDSA-N
MW349.50 g/mol
LogP3.28
Rot. Bonds3

About (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide

(2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide (PubChem CID 100642346) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide
PubChem CID100642346
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name(2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide
SMILESCC(C)(C)CN(C(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccccc1
InChIInChI=1S/C19H27NO3S/c1-18(2,3)14-20(15-7-5-4-6-8-15)17(21)16-13-19(16)9-11-24(22,23)12-10-19/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1
InChIKeyWEGITWKMMIFPCU-MRXNPFEDSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide (CID 100642346) is (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide is CC(C)(C)CN(C(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccccc1.
What is the InChIKey of (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide?
The InChIKey is WEGITWKMMIFPCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-18(2,3)14-20(15-7-5-4-6-8-15)17(21)16-13-19(16)9-11-24(22,23)12-10-19/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide?
(2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethylpropyl)-6,6-dioxo-N-phenyl-6λ6-thiaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 100642346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).