N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide

C15H29N3O3S — CID 56708160

IUPACN,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC2(CCC(=O)N(C)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-4-17(5-2)22(20,21)18-12-9-15(10-13-18)7-6-14(19)16(3)11-8-15/h4-13H2,1-3H3
InChIKeyIBIWIFKDNAIBTH-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.30
Rot. Bonds4

About N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide

N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide (PubChem CID 56708160) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide
PubChem CID56708160
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC2(CCC(=O)N(C)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-4-17(5-2)22(20,21)18-12-9-15(10-13-18)7-6-14(19)16(3)11-8-15/h4-13H2,1-3H3
InChIKeyIBIWIFKDNAIBTH-UHFFFAOYSA-N
XLogP1.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide?
The IUPAC name of N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide (CID 56708160) is N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide?
The canonical SMILES for N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide is CCN(CC)S(=O)(=O)N1CCC2(CCC(=O)N(C)CC2)CC1.
What is the InChIKey of N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide?
The InChIKey is IBIWIFKDNAIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-4-17(5-2)22(20,21)18-12-9-15(10-13-18)7-6-14(19)16(3)11-8-15/h4-13H2,1-3H3.
What are the key properties of N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide?
N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide has a molecular weight of 331.48 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-methyl-9-oxo-3,10-diazaspiro[5.6]dodecane-3-sulfonamide is sourced from PubChem (CID 56708160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).