2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine

C7H17ClN2O3S — CID 63400926

IUPAC2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine
SMILESCOCC(Cl)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C7H17ClN2O3S/c1-9(2)14(11,12)10(3)5-7(8)6-13-4/h7H,5-6H2,1-4H3
InChIKeyGSKYUGWSGGEAJX-UHFFFAOYSA-N
MW244.74 g/mol
LogP-0.02
Rot. Bonds6

About 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine

2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 63400926) has the molecular formula C7H17ClN2O3S and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine
PubChem CID63400926
Molecular FormulaC7H17ClN2O3S
Molecular Weight244.74 g/mol
Exact Mass244.06
IUPAC Name2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine
SMILESCOCC(Cl)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C7H17ClN2O3S/c1-9(2)14(11,12)10(3)5-7(8)6-13-4/h7H,5-6H2,1-4H3
InChIKeyGSKYUGWSGGEAJX-UHFFFAOYSA-N
XLogP-0.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine (CID 63400926) is 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine is COCC(Cl)CN(C)S(=O)(=O)N(C)C.
What is the InChIKey of 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is GSKYUGWSGGEAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2O3S/c1-9(2)14(11,12)10(3)5-7(8)6-13-4/h7H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine?
2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 244.74 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dimethylsulfamoyl)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 63400926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).