2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide

C11H26N2O2S — CID 115616941

IUPAC2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNCC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-13(7-2)16(14,15)9-8-12-10-11(3,4)5/h12H,6-10H2,1-5H3
InChIKeyLQQYCZVHSGDKBS-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.29
Rot. Bonds7

About 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide

2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide (PubChem CID 115616941) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide
PubChem CID115616941
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNCC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-13(7-2)16(14,15)9-8-12-10-11(3,4)5/h12H,6-10H2,1-5H3
InChIKeyLQQYCZVHSGDKBS-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide?
The IUPAC name of 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide (CID 115616941) is 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)CCNCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide?
The InChIKey is LQQYCZVHSGDKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-13(7-2)16(14,15)9-8-12-10-11(3,4)5/h12H,6-10H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide?
2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide is sourced from PubChem (CID 115616941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).