N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine

C7H17ClN2O2S — CID 63396566

IUPACN-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)S(=O)(=O)N(C)CCCl
InChIInChI=1S/C7H17ClN2O2S/c1-7(2)10(4)13(11,12)9(3)6-5-8/h7H,5-6H2,1-4H3
InChIKeyUEVFXOSAIULLTO-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.74
Rot. Bonds5

About N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine

N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine (PubChem CID 63396566) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine
PubChem CID63396566
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)S(=O)(=O)N(C)CCCl
InChIInChI=1S/C7H17ClN2O2S/c1-7(2)10(4)13(11,12)9(3)6-5-8/h7H,5-6H2,1-4H3
InChIKeyUEVFXOSAIULLTO-UHFFFAOYSA-N
XLogP0.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride
CID 119982402
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
N-methyl-N-propan-2-ylsulfamoyl chloride
CID 16794766
N-ethyl-N-[methyl(propan-2-yl)sulfamoyl]butan-1-amine
CID 86989260
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 55242943
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 131900433
N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523
methyl 2-[2-chloroethyl(methyl)sulfamoyl]acetate
CID 106441931
N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 54978733
N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656

Frequently Asked Questions

What is the IUPAC name of N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine (CID 63396566) is N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine is CC(C)N(C)S(=O)(=O)N(C)CCCl.
What is the InChIKey of N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine?
The InChIKey is UEVFXOSAIULLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2O2S/c1-7(2)10(4)13(11,12)9(3)6-5-8/h7H,5-6H2,1-4H3.
What are the key properties of N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine?
N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine has a molecular weight of 228.74 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloroethyl(methyl)sulfamoyl]-N-methylpropan-2-amine is sourced from PubChem (CID 63396566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).