3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride

C8H21ClN2O3S — CID 120825249

IUPAC3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)CCCOC.Cl
InChIInChI=1S/C8H20N2O3S.ClH/c1-8(9-2)7-10-14(11,12)6-4-5-13-3;/h8-10H,4-7H2,1-3H3;1H
InChIKeyODGDJWLAZXYVMF-UHFFFAOYSA-N
MW260.79 g/mol
LogP-0.03
Rot. Bonds8

About 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride

3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride (PubChem CID 120825249) has the molecular formula C8H21ClN2O3S and a molecular weight of 260.79 g/mol. Its IUPAC name is 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
PubChem CID120825249
Molecular FormulaC8H21ClN2O3S
Molecular Weight260.79 g/mol
Exact Mass260.10
IUPAC Name3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)CCCOC.Cl
InChIInChI=1S/C8H20N2O3S.ClH/c1-8(9-2)7-10-14(11,12)6-4-5-13-3;/h8-10H,4-7H2,1-3H3;1H
InChIKeyODGDJWLAZXYVMF-UHFFFAOYSA-N
XLogP-0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096
4-(3-methoxypropylsulfonyl)-N-methylpentan-2-amine
CID 64704596
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
1-[bis(2-methoxyethyl)sulfamoylamino]-2-(methylamino)propane
CID 120825519
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride (CID 120825249) is 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)CCCOC.Cl.
What is the InChIKey of 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride?
The InChIKey is ODGDJWLAZXYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S.ClH/c1-8(9-2)7-10-14(11,12)6-4-5-13-3;/h8-10H,4-7H2,1-3H3;1H.
What are the key properties of 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride?
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120825249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).