(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane

C18H28N2O2S — CID 97130354

IUPAC(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C18H28N2O2S/c1-3-19-14-17(16-7-5-4-6-8-16)13-18(15-19)9-11-20(12-10-18)23(2,21)22/h4-8,17H,3,9-15H2,1-2H3/t17-/m0/s1
InChIKeyGNJDPNMXYKDHRG-KRWDZBQOSA-N
MW336.50 g/mol
LogP2.54
Rot. Bonds3

About (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane

(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane (PubChem CID 97130354) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
PubChem CID97130354
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C18H28N2O2S/c1-3-19-14-17(16-7-5-4-6-8-16)13-18(15-19)9-11-20(12-10-18)23(2,21)22/h4-8,17H,3,9-15H2,1-2H3/t17-/m0/s1
InChIKeyGNJDPNMXYKDHRG-KRWDZBQOSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-ethyl-4-phenyl-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 97444913
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane (CID 97130354) is (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane is CCN1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is GNJDPNMXYKDHRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-3-19-14-17(16-7-5-4-6-8-16)13-18(15-19)9-11-20(12-10-18)23(2,21)22/h4-8,17H,3,9-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 336.50 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97130354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).