N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine

C10H23ClN2O2S — CID 63396851

IUPACN-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
SMILESCCCCN(CCCl)S(=O)(=O)N(CC)CC
InChIInChI=1S/C10H23ClN2O2S/c1-4-7-9-13(10-8-11)16(14,15)12(5-2)6-3/h4-10H2,1-3H3
InChIKeyXLXUUJGIPOKOSQ-UHFFFAOYSA-N
MW270.83 g/mol
LogP1.91
Rot. Bonds9

About N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine

N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine (PubChem CID 63396851) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
PubChem CID63396851
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC NameN-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
SMILESCCCCN(CCCl)S(=O)(=O)N(CC)CC
InChIInChI=1S/C10H23ClN2O2S/c1-4-7-9-13(10-8-11)16(14,15)12(5-2)6-3/h4-10H2,1-3H3
InChIKeyXLXUUJGIPOKOSQ-UHFFFAOYSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.91
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

N-(2-chloroethyl)-N-(diethylsulfamoyl)-2,2,2-trifluoroethanamine
CID 107493022
N-ethyl-N-[methyl(propan-2-yl)sulfamoyl]butan-1-amine
CID 86989260
N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
CID 63396894
N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine
CID 91320842
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
CID 102873648
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine (CID 63396851) is N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine is CCCCN(CCCl)S(=O)(=O)N(CC)CC.
What is the InChIKey of N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine?
The InChIKey is XLXUUJGIPOKOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2O2S/c1-4-7-9-13(10-8-11)16(14,15)12(5-2)6-3/h4-10H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine?
N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine has a molecular weight of 270.83 g/mol, XLogP of 1.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine is sourced from PubChem (CID 63396851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).