N-[[di(propan-2-yl)amino]methyl]methanesulfonamide

C8H20N2O2S — CID 59964539

IUPACN-[[di(propan-2-yl)amino]methyl]methanesulfonamide
SMILESCC(C)N(CNS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-9-13(5,11)12/h7-9H,6H2,1-5H3
InChIKeyGXMXBGLRIIFRNU-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.61
Rot. Bonds5

About N-[[di(propan-2-yl)amino]methyl]methanesulfonamide

N-[[di(propan-2-yl)amino]methyl]methanesulfonamide (PubChem CID 59964539) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]methyl]methanesulfonamide
PubChem CID59964539
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[[di(propan-2-yl)amino]methyl]methanesulfonamide
SMILESCC(C)N(CNS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-9-13(5,11)12/h7-9H,6H2,1-5H3
InChIKeyGXMXBGLRIIFRNU-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]methyl]methanesulfonamide?
The IUPAC name of N-[[di(propan-2-yl)amino]methyl]methanesulfonamide (CID 59964539) is N-[[di(propan-2-yl)amino]methyl]methanesulfonamide.
What is the SMILES notation for N-[[di(propan-2-yl)amino]methyl]methanesulfonamide?
The canonical SMILES for N-[[di(propan-2-yl)amino]methyl]methanesulfonamide is CC(C)N(CNS(C)(=O)=O)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]methyl]methanesulfonamide?
The InChIKey is GXMXBGLRIIFRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-9-13(5,11)12/h7-9H,6H2,1-5H3.
What are the key properties of N-[[di(propan-2-yl)amino]methyl]methanesulfonamide?
N-[[di(propan-2-yl)amino]methyl]methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]methyl]methanesulfonamide is sourced from PubChem (CID 59964539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).