N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

C11H27N3O2S — CID 63860753

IUPACN-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCN(CC)CCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H27N3O2S/c1-6-14(7-2)9-8-12-10-11(3,4)13-17(5,15)16/h12-13H,6-10H2,1-5H3
InChIKeyCBLAHLVMCUSXTH-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.25
Rot. Bonds9

About N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860753) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860753
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC NameN-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCN(CC)CCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H27N3O2S/c1-6-14(7-2)9-8-12-10-11(3,4)13-17(5,15)16/h12-13H,6-10H2,1-5H3
InChIKeyCBLAHLVMCUSXTH-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63860753) is N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is CCN(CC)CCNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is CBLAHLVMCUSXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-6-14(7-2)9-8-12-10-11(3,4)13-17(5,15)16/h12-13H,6-10H2,1-5H3.
What are the key properties of N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 265.42 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).