2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C15H28N4O4S — CID 118740727

IUPAC2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H28N4O4S/c1-5-17-9-15(8-13(17)20)10-18(14(21)16-12(2)3)6-7-19(11-15)24(4,22)23/h12H,5-11H2,1-4H3,(H,16,21)
InChIKeyREEHYTLRXJBABF-UHFFFAOYSA-N
MW360.48 g/mol
LogP-0.08
Rot. Bonds3

About 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118740727) has the molecular formula C15H28N4O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118740727
Molecular FormulaC15H28N4O4S
Molecular Weight360.48 g/mol
Exact Mass360.18
IUPAC Name2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H28N4O4S/c1-5-17-9-15(8-13(17)20)10-18(14(21)16-12(2)3)6-7-19(11-15)24(4,22)23/h12H,5-11H2,1-4H3,(H,16,21)
InChIKeyREEHYTLRXJBABF-UHFFFAOYSA-N
XLogP-0.08
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118740727) is 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is REEHYTLRXJBABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4S/c1-5-17-9-15(8-13(17)20)10-18(14(21)16-12(2)3)6-7-19(11-15)24(4,22)23/h12H,5-11H2,1-4H3,(H,16,21).
What are the key properties of 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 360.48 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118740727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).