2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H28N2O3S — CID 70770192

IUPAC2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CCC1=O
InChIInChI=1S/C19H28N2O3S/c1-3-20-14-19(11-9-18(20)22)10-4-12-21(15-19)25(23,24)13-17-7-5-16(2)6-8-17/h5-8H,3-4,9-15H2,1-2H3
InChIKeyMPGGCOPWTDHGQA-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.55
Rot. Bonds4

About 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70770192) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70770192
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CCC1=O
InChIInChI=1S/C19H28N2O3S/c1-3-20-14-19(11-9-18(20)22)10-4-12-21(15-19)25(23,24)13-17-7-5-16(2)6-8-17/h5-8H,3-4,9-15H2,1-2H3
InChIKeyMPGGCOPWTDHGQA-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-7-[(4-methylphenyl)methylsulfonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131641174
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72880462
8-(benzenesulfonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70717072
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896690
(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96575497
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
(6R)-2-ethyl-8-[2-(2-hydroxyphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95881198
2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715511
(6R)-2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95874599
1-[4-[(4-methylphenyl)methylsulfonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]prop-2-en-1-one
CID 172887780

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70770192) is 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MPGGCOPWTDHGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-20-14-19(11-9-18(20)22)10-4-12-21(15-19)25(23,24)13-17-7-5-16(2)6-8-17/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[(4-methylphenyl)methylsulfonyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70770192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).