3-amino-N,N-dimethylpropane-1-sulfonamide

C5H14N2O2S — CID 19261643

IUPAC3-amino-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN
InChIInChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-4-6/h3-6H2,1-2H3
InChIKeyAYOQIIXWVSSNSR-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.77
Rot. Bonds4

About 3-amino-N,N-dimethylpropane-1-sulfonamide

3-amino-N,N-dimethylpropane-1-sulfonamide (PubChem CID 19261643) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-amino-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethylpropane-1-sulfonamide
PubChem CID19261643
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name3-amino-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN
InChIInChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-4-6/h3-6H2,1-2H3
InChIKeyAYOQIIXWVSSNSR-UHFFFAOYSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethylpropane-1-sulfonamide (CID 19261643) is 3-amino-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is AYOQIIXWVSSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-4-6/h3-6H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethylpropane-1-sulfonamide?
3-amino-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 19261643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).