methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate

C6H13ClN2O5S — CID 106185569

IUPACmethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
SMILESCOCC(CCl)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C6H13ClN2O5S/c1-13-4-5(3-7)8-15(11,12)9-6(10)14-2/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyNJJBRBVPFYRFGZ-UHFFFAOYSA-N
MW260.70 g/mol
LogP-0.57
Rot. Bonds6

About methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate

methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate (PubChem CID 106185569) has the molecular formula C6H13ClN2O5S and a molecular weight of 260.70 g/mol. Its IUPAC name is methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
PubChem CID106185569
Molecular FormulaC6H13ClN2O5S
Molecular Weight260.70 g/mol
Exact Mass260.02
IUPAC Namemethyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
SMILESCOCC(CCl)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C6H13ClN2O5S/c1-13-4-5(3-7)8-15(11,12)9-6(10)14-2/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyNJJBRBVPFYRFGZ-UHFFFAOYSA-N
XLogP-0.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 5-0.57
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

methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158321
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
CID 114466108
methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
CID 114463731
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 106185346
(2S)-5-methoxy-2-(methoxycarbonylsulfamoylamino)-5-oxopentanoic acid
CID 114005093
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 106181367

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate (CID 106185569) is methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate is COCC(CCl)NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
The InChIKey is NJJBRBVPFYRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O5S/c1-13-4-5(3-7)8-15(11,12)9-6(10)14-2/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate?
methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate has a molecular weight of 260.70 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 106185569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).