N-[3-(dimethylamino)propyl]propane-1-sulfonamide

C8H20N2O2S — CID 60641853

IUPACN-[3-(dimethylamino)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCN(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-8-13(11,12)9-6-5-7-10(2)3/h9H,4-8H2,1-3H3
InChIKeyKRBREBMFPAZBLK-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.27
Rot. Bonds7

About N-[3-(dimethylamino)propyl]propane-1-sulfonamide

N-[3-(dimethylamino)propyl]propane-1-sulfonamide (PubChem CID 60641853) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]propane-1-sulfonamide
PubChem CID60641853
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[3-(dimethylamino)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCN(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-8-13(11,12)9-6-5-7-10(2)3/h9H,4-8H2,1-3H3
InChIKeyKRBREBMFPAZBLK-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.27
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 N-[3-(dimethylamino)propyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]propane-1-sulfonamide (CID 60641853) is N-[3-(dimethylamino)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]propane-1-sulfonamide?
The InChIKey is KRBREBMFPAZBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-8-13(11,12)9-6-5-7-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]propane-1-sulfonamide?
N-[3-(dimethylamino)propyl]propane-1-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]propane-1-sulfonamide is sourced from PubChem (CID 60641853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).