N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide

C8H17N3O2S — CID 137433121

IUPACN,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CNC2)C1
InChIInChI=1S/C8H17N3O2S/c1-10(2)14(12,13)11-4-3-8(7-11)5-9-6-8/h9H,3-7H2,1-2H3
InChIKeyGVYJNVUJVJUGAN-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.91
Rot. Bonds2

About N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide

N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide (PubChem CID 137433121) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide
PubChem CID137433121
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CNC2)C1
InChIInChI=1S/C8H17N3O2S/c1-10(2)14(12,13)11-4-3-8(7-11)5-9-6-8/h9H,3-7H2,1-2H3
InChIKeyGVYJNVUJVJUGAN-UHFFFAOYSA-N
XLogP-0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide?
The IUPAC name of N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide (CID 137433121) is N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CNC2)C1.
What is the InChIKey of N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide?
The InChIKey is GVYJNVUJVJUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-10(2)14(12,13)11-4-3-8(7-11)5-9-6-8/h9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide?
N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide has a molecular weight of 219.31 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide is sourced from PubChem (CID 137433121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).