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

C13H24N4O4S — CID 118739592

IUPAC10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCC(C)NC(=O)N1CCN(S(C)(=O)=O)CC2(CNC(=O)C2)C1
InChIInChI=1S/C13H24N4O4S/c1-10(2)15-12(19)16-4-5-17(22(3,20)21)9-13(8-16)6-11(18)14-7-13/h10H,4-9H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyBLYAZOIWYPICOG-UHFFFAOYSA-N
MW332.43 g/mol
LogP-0.81
Rot. Bonds2

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

10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 118739592) has the molecular formula C13H24N4O4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID118739592
Molecular FormulaC13H24N4O4S
Molecular Weight332.43 g/mol
Exact Mass332.15
IUPAC Name10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCC(C)NC(=O)N1CCN(S(C)(=O)=O)CC2(CNC(=O)C2)C1
InChIInChI=1S/C13H24N4O4S/c1-10(2)15-12(19)16-4-5-17(22(3,20)21)9-13(8-16)6-11(18)14-7-13/h10H,4-9H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyBLYAZOIWYPICOG-UHFFFAOYSA-N
XLogP-0.81
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 118739592) is 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CC(C)NC(=O)N1CCN(S(C)(=O)=O)CC2(CNC(=O)C2)C1.
What is the InChIKey of 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is BLYAZOIWYPICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4S/c1-10(2)15-12(19)16-4-5-17(22(3,20)21)9-13(8-16)6-11(18)14-7-13/h10H,4-9H2,1-3H3,(H,14,18)(H,15,19).
What are the key properties of 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 332.43 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 118739592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).