methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate

C7H13ClN2O4S — CID 114466954

IUPACmethyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1(CCl)CCC1
InChIInChI=1S/C7H13ClN2O4S/c1-14-6(11)9-15(12,13)10-7(5-8)3-2-4-7/h10H,2-5H2,1H3,(H,9,11)
InChIKeyGBRNSFVCJHTNKR-UHFFFAOYSA-N
MW256.71 g/mol
LogP0.34
Rot. Bonds4

About methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate

methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate (PubChem CID 114466954) has the molecular formula C7H13ClN2O4S and a molecular weight of 256.71 g/mol. Its IUPAC name is methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
PubChem CID114466954
Molecular FormulaC7H13ClN2O4S
Molecular Weight256.71 g/mol
Exact Mass256.03
IUPAC Namemethyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1(CCl)CCC1
InChIInChI=1S/C7H13ClN2O4S/c1-14-6(11)9-15(12,13)10-7(5-8)3-2-4-7/h10H,2-5H2,1H3,(H,9,11)
InChIKeyGBRNSFVCJHTNKR-UHFFFAOYSA-N
XLogP0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466957
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
CID 106301452
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114462405
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
methyl 1-(chloromethylsulfonylamino)cyclohexane-1-carboxylate
CID 107858830
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
N-[1-(chloromethyl)cyclohexyl]-2-ethylbutanamide
CID 114303398
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate?
The IUPAC name of methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate (CID 114466954) is methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate?
The canonical SMILES for methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC1(CCl)CCC1.
What is the InChIKey of methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate?
The InChIKey is GBRNSFVCJHTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O4S/c1-14-6(11)9-15(12,13)10-7(5-8)3-2-4-7/h10H,2-5H2,1H3,(H,9,11).
What are the key properties of methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate?
methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate has a molecular weight of 256.71 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate is sourced from PubChem (CID 114466954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).