tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate

C8H17ClN2O4S — CID 15473616

IUPACtert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate
SMILESCN(CCCl)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17ClN2O4S/c1-8(2,3)15-7(12)10-16(13,14)11(4)6-5-9/h5-6H2,1-4H3,(H,10,12)
InChIKeyLWFKUZHOXANHLC-UHFFFAOYSA-N
MW272.75 g/mol
LogP0.93
Rot. Bonds4

About tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate

tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate (PubChem CID 15473616) has the molecular formula C8H17ClN2O4S and a molecular weight of 272.75 g/mol. Its IUPAC name is tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate
PubChem CID15473616
Molecular FormulaC8H17ClN2O4S
Molecular Weight272.75 g/mol
Exact Mass272.06
IUPAC Nametert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate
SMILESCN(CCCl)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17ClN2O4S/c1-8(2,3)15-7(12)10-16(13,14)11(4)6-5-9/h5-6H2,1-4H3,(H,10,12)
InChIKeyLWFKUZHOXANHLC-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
CID 114466253
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]amino]propanoate
CID 103731364
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
methyl 2-[2-chloroethyl(methyl)sulfamoyl]acetate
CID 106441931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate (CID 15473616) is tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate is CN(CCCl)S(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate?
The InChIKey is LWFKUZHOXANHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O4S/c1-8(2,3)15-7(12)10-16(13,14)11(4)6-5-9/h5-6H2,1-4H3,(H,10,12).
What are the key properties of tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate?
tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate has a molecular weight of 272.75 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-chloroethyl(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 15473616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).