3-(methanesulfonamido)propyl-trimethylazanium

C7H18N2O2S — CID 59024482

IUPAC3-(methanesulfonamido)propyl-trimethylazanium
SMILESC[N+](C)(C)[CH-]CCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-9(2,3)7-5-6-8-12(4,10)11/h7-8H,5-6H2,1-4H3
InChIKeyZNBYPOKOJFCQFT-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.21
Rot. Bonds5

About 3-(methanesulfonamido)propyl-trimethylazanium

3-(methanesulfonamido)propyl-trimethylazanium (PubChem CID 59024482) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(methanesulfonamido)propyl-trimethylazanium.

Molecular Properties

Compound Name3-(methanesulfonamido)propyl-trimethylazanium
PubChem CID59024482
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name3-(methanesulfonamido)propyl-trimethylazanium
SMILESC[N+](C)(C)[CH-]CCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-9(2,3)7-5-6-8-12(4,10)11/h7-8H,5-6H2,1-4H3
InChIKeyZNBYPOKOJFCQFT-UHFFFAOYSA-N
XLogP-0.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', '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
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
N-[3-(dimethylamino)propyl]propane-1-sulfonamide
CID 60641853
Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
N-[3-(dimethylamino)propyl]methanesulfonamide
CID 4649199
N-[3-(dimethylamino)propyl]ethanesulfonamide
CID 5183259
3-(Methanesulfonamido)propyl-trimethylazanium
CID 18725235
N-[3-(dimethylamino)propyl]butane-1-sulfonamide
CID 19681724
3-(Dimethylamino)propylsulfamoylmethanesulfonic acid
CID 20665353

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)propyl-trimethylazanium?
The IUPAC name of 3-(methanesulfonamido)propyl-trimethylazanium (CID 59024482) is 3-(methanesulfonamido)propyl-trimethylazanium.
What is the SMILES notation for 3-(methanesulfonamido)propyl-trimethylazanium?
The canonical SMILES for 3-(methanesulfonamido)propyl-trimethylazanium is C[N+](C)(C)[CH-]CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)propyl-trimethylazanium?
The InChIKey is ZNBYPOKOJFCQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-9(2,3)7-5-6-8-12(4,10)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(methanesulfonamido)propyl-trimethylazanium?
3-(methanesulfonamido)propyl-trimethylazanium has a molecular weight of 194.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)propyl-trimethylazanium is sourced from PubChem (CID 59024482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).