N-[2-(dimethylamino)propyl]propane-2-sulfonamide

C8H20N2O2S — CID 61357181

IUPACN-[2-(dimethylamino)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)N(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)13(11,12)9-6-8(3)10(4)5/h7-9H,6H2,1-5H3
InChIKeyNOPZBKICBZWGFN-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.26
Rot. Bonds5

About N-[2-(dimethylamino)propyl]propane-2-sulfonamide

N-[2-(dimethylamino)propyl]propane-2-sulfonamide (PubChem CID 61357181) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]propane-2-sulfonamide
PubChem CID61357181
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[2-(dimethylamino)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)N(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)13(11,12)9-6-8(3)10(4)5/h7-9H,6H2,1-5H3
InChIKeyNOPZBKICBZWGFN-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]propane-2-sulfonamide (CID 61357181) is N-[2-(dimethylamino)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]propane-2-sulfonamide?
The InChIKey is NOPZBKICBZWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)13(11,12)9-6-8(3)10(4)5/h7-9H,6H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)propyl]propane-2-sulfonamide?
N-[2-(dimethylamino)propyl]propane-2-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]propane-2-sulfonamide is sourced from PubChem (CID 61357181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).