(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide

C12H23N3O3S — CID 97392435

IUPAC(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide
SMILESCC[C@H]1N(S(=O)(=O)N(C)C)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C12H23N3O3S/c1-4-10-12(8-6-11(16)13-12)7-5-9-15(10)19(17,18)14(2)3/h10H,4-9H2,1-3H3,(H,13,16)/t10-,12+/m1/s1
InChIKeyNSFNLOIKXXUIDB-PWSUYJOCSA-N
MW289.40 g/mol
LogP0.32
Rot. Bonds3

About (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide

(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide (PubChem CID 97392435) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide.

Molecular Properties

Compound Name(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide
PubChem CID97392435
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide
SMILESCC[C@H]1N(S(=O)(=O)N(C)C)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C12H23N3O3S/c1-4-10-12(8-6-11(16)13-12)7-5-9-15(10)19(17,18)14(2)3/h10H,4-9H2,1-3H3,(H,13,16)/t10-,12+/m1/s1
InChIKeyNSFNLOIKXXUIDB-PWSUYJOCSA-N
XLogP0.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide?
The IUPAC name of (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide (CID 97392435) is (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide.
What is the SMILES notation for (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide?
The canonical SMILES for (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide is CC[C@H]1N(S(=O)(=O)N(C)C)CCC[C@]12CCC(=O)N2.
What is the InChIKey of (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide?
The InChIKey is NSFNLOIKXXUIDB-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-4-10-12(8-6-11(16)13-12)7-5-9-15(10)19(17,18)14(2)3/h10H,4-9H2,1-3H3,(H,13,16)/t10-,12+/m1/s1.
What are the key properties of (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide?
(5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-ethyl-N,N-dimethyl-2-oxo-1,9-diazaspiro[4.5]decane-9-sulfonamide is sourced from PubChem (CID 97392435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).