N-[3-(diethylamino)propyl]methanesulfonamide

C8H20N2O2S — CID 3330231

IUPACN-[3-(diethylamino)propyl]methanesulfonamide
SMILESCCN(CC)CCCNS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-10(5-2)8-6-7-9-13(3,11)12/h9H,4-8H2,1-3H3
InChIKeyMHUJEGDLLFZVDD-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.27
Rot. Bonds7

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

N-[3-(diethylamino)propyl]methanesulfonamide (PubChem CID 3330231) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]methanesulfonamide
PubChem CID3330231
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[3-(diethylamino)propyl]methanesulfonamide
SMILESCCN(CC)CCCNS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-10(5-2)8-6-7-9-13(3,11)12/h9H,4-8H2,1-3H3
InChIKeyMHUJEGDLLFZVDD-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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Related Compounds

N-(3-aminopropyl)-N-methylethane-1-sulfonamide
CID 28387158
N-(3-aminopropyl)-N-methylmethanesulfonamide hydrochloride
CID 122163908
N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
3-Aminopropyl-dimethyl-(3-sulfopropyl)azanium
CID 89044486
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
N-[3-(dimethylamino)propyl]propane-1-sulfonamide
CID 60641853
Tripropylammonium mesylate
CID 171393722
N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 43136941
N-ethyl-N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
CID 61013676
N-[3-(2,2-difluoroethylamino)propyl]-N-ethylmethanesulfonamide
CID 61014023

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]methanesulfonamide (CID 3330231) is N-[3-(diethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]methanesulfonamide is CCN(CC)CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(diethylamino)propyl]methanesulfonamide?
The InChIKey is MHUJEGDLLFZVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-10(5-2)8-6-7-9-13(3,11)12/h9H,4-8H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]methanesulfonamide?
N-[3-(diethylamino)propyl]methanesulfonamide 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-(diethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 3330231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).