N-[3-(dibutylamino)propyl]methanesulfonamide

C12H28N2O2S — CID 23573808

IUPACN-[3-(dibutylamino)propyl]methanesulfonamide
SMILESCCCCN(CCCC)CCCNS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16/h13H,4-12H2,1-3H3
InChIKeyRDUOXQFUVPAVCZ-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.83
Rot. Bonds11

About N-[3-(dibutylamino)propyl]methanesulfonamide

N-[3-(dibutylamino)propyl]methanesulfonamide (PubChem CID 23573808) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]methanesulfonamide
PubChem CID23573808
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-[3-(dibutylamino)propyl]methanesulfonamide
SMILESCCCCN(CCCC)CCCNS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16/h13H,4-12H2,1-3H3
InChIKeyRDUOXQFUVPAVCZ-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.83
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-(dibutylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(dibutylamino)propyl]methanesulfonamide (CID 23573808) is N-[3-(dibutylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]methanesulfonamide is CCCCN(CCCC)CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(dibutylamino)propyl]methanesulfonamide?
The InChIKey is RDUOXQFUVPAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16/h13H,4-12H2,1-3H3.
What are the key properties of N-[3-(dibutylamino)propyl]methanesulfonamide?
N-[3-(dibutylamino)propyl]methanesulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]methanesulfonamide is sourced from PubChem (CID 23573808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).