methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate

C7H15ClN2O5S — CID 106158321

IUPACmethyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
SMILESCOCC(CCCl)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H15ClN2O5S/c1-14-5-6(3-4-8)9-16(12,13)10-7(11)15-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyTXXAZJXZGNBTDD-UHFFFAOYSA-N
MW274.73 g/mol
LogP-0.18
Rot. Bonds7

About methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate

methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate (PubChem CID 106158321) has the molecular formula C7H15ClN2O5S and a molecular weight of 274.73 g/mol. Its IUPAC name is methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
PubChem CID106158321
Molecular FormulaC7H15ClN2O5S
Molecular Weight274.73 g/mol
Exact Mass274.04
IUPAC Namemethyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
SMILESCOCC(CCCl)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H15ClN2O5S/c1-14-5-6(3-4-8)9-16(12,13)10-7(11)15-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyTXXAZJXZGNBTDD-UHFFFAOYSA-N
XLogP-0.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158349
propan-2-yl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158351
methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185569
ethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185627
propan-2-yl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185630
ethyl N-(4-chlorobutylsulfamoyl)carbamate
CID 106846515
ethyl N-(3-chloropropylsulfamoyl)carbamate
CID 114464059
ethyl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466310
methyl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466312
propan-2-yl N-(1-chloropropan-2-ylsulfamoyl)carbamate
CID 114466353
ethyl N-(1-chloropropan-2-ylsulfamoyl)carbamate
CID 114466355
methyl N-(1-chloropropan-2-ylsulfamoyl)carbamate
CID 114466356

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate (CID 106158321) is methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate is COCC(CCCl)NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate?
The InChIKey is TXXAZJXZGNBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O5S/c1-14-5-6(3-4-8)9-16(12,13)10-7(11)15-2/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate?
methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate has a molecular weight of 274.73 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 106158321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).