butan-2-yl N-chlorosulfonylcarbamate

C5H10ClNO4S — CID 116519919

IUPACbutan-2-yl N-chlorosulfonylcarbamate
SMILESCCC(C)OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S/c1-3-4(2)11-5(8)7-12(6,9)10/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPRTZXISVUCIEKL-UHFFFAOYSA-N
MW215.66 g/mol
LogP0.99
Rot. Bonds3

About butan-2-yl N-chlorosulfonylcarbamate

butan-2-yl N-chlorosulfonylcarbamate (PubChem CID 116519919) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is butan-2-yl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Namebutan-2-yl N-chlorosulfonylcarbamate
PubChem CID116519919
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Namebutan-2-yl N-chlorosulfonylcarbamate
SMILESCCC(C)OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S/c1-3-4(2)11-5(8)7-12(6,9)10/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPRTZXISVUCIEKL-UHFFFAOYSA-N
XLogP0.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(chlorosulfonyl)carbamate
CID 15677406
Propyl fluorosulfonylcarbamate
CID 45119469
Ethyl (chlorosulfonyl)carbamate
CID 15259681
propan-2-yl N-(methylsulfamoyl)carbamate
CID 85962651
Butyl sulfamoylcarbamate
CID 23424378
Diethyl sulfonyldicarbamate
CID 71444684
1-fluorobutyl N-chlorosulfonylcarbamate
CID 87948845
Carbamic acid, (aminosulfonyl)-, 1-methylethyl ester
CID 11159683
1,1,1-trifluoropropan-2-yl N-chlorosulfonylcarbamate
CID 116799171
Propan-2-yloxycarbonylsulfamic acid
CID 19775655
propyl N-chlorosulfonylcarbamate
CID 20767314
Butan-2-yloxycarbonylsulfamic acid
CID 21353330

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-chlorosulfonylcarbamate?
The IUPAC name of butan-2-yl N-chlorosulfonylcarbamate (CID 116519919) is butan-2-yl N-chlorosulfonylcarbamate.
What is the SMILES notation for butan-2-yl N-chlorosulfonylcarbamate?
The canonical SMILES for butan-2-yl N-chlorosulfonylcarbamate is CCC(C)OC(=O)NS(=O)(=O)Cl.
What is the InChIKey of butan-2-yl N-chlorosulfonylcarbamate?
The InChIKey is PRTZXISVUCIEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4S/c1-3-4(2)11-5(8)7-12(6,9)10/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of butan-2-yl N-chlorosulfonylcarbamate?
butan-2-yl N-chlorosulfonylcarbamate has a molecular weight of 215.66 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-chlorosulfonylcarbamate is sourced from PubChem (CID 116519919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).