N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine

C10H21ClN2O2S — CID 102873648

IUPACN-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
SMILESCCN(CC)S(=O)(=O)N(CCCl)C1CCC1
InChIInChI=1S/C10H21ClN2O2S/c1-3-12(4-2)16(14,15)13(9-8-11)10-6-5-7-10/h10H,3-9H2,1-2H3
InChIKeyRBQILDLYGUICFH-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.67
Rot. Bonds7

About N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine

N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine (PubChem CID 102873648) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
PubChem CID102873648
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC NameN-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine
SMILESCCN(CC)S(=O)(=O)N(CCCl)C1CCC1
InChIInChI=1S/C10H21ClN2O2S/c1-3-12(4-2)16(14,15)13(9-8-11)10-6-5-7-10/h10H,3-9H2,1-2H3
InChIKeyRBQILDLYGUICFH-UHFFFAOYSA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.67
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-cyclohexylmethanesulfonamide
CID 63396860
2-[cyclobutyl(dipropylsulfamoyl)amino]ethanol
CID 102675795
N-(diethylsulfamoyl)-N-propylazetidin-3-amine
CID 66214667
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-cyclohexyl-N-ethylsulfamoyl chloride
CID 16769623
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
CID 63396598
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
CID 63396851

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine?
The IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine (CID 102873648) is N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine is CCN(CC)S(=O)(=O)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine?
The InChIKey is RBQILDLYGUICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-3-12(4-2)16(14,15)13(9-8-11)10-6-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine?
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclobutanamine has a molecular weight of 268.81 g/mol, XLogP of 1.67, 7 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)cyclobutanamine is sourced from PubChem (CID 102873648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).