methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate

C8H18N2O5S2 — CID 58850995

IUPACmethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate
SMILESC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C8H18N2O5S2/c1-4-8(5-6-9-16(3,11)12)7-10-17(13,14)15-2/h4,9-10H,5-7H2,1-3H3/b8-4-
InChIKeyMZXUCLCHIKONAT-YWEYNIOJSA-N
MW286.38 g/mol
LogP-0.65
Rot. Bonds8

About methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate

methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate (PubChem CID 58850995) has the molecular formula C8H18N2O5S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate.

Molecular Properties

Compound Namemethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate
PubChem CID58850995
Molecular FormulaC8H18N2O5S2
Molecular Weight286.38 g/mol
Exact Mass286.07
IUPAC Namemethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate
SMILESC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C8H18N2O5S2/c1-4-8(5-6-9-16(3,11)12)7-10-17(13,14)15-2/h4,9-10H,5-7H2,1-3H3/b8-4-
InChIKeyMZXUCLCHIKONAT-YWEYNIOJSA-N
XLogP-0.65
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate?
The IUPAC name of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate (CID 58850995) is methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate.
What is the SMILES notation for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate?
The canonical SMILES for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate is C/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC.
What is the InChIKey of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate?
The InChIKey is MZXUCLCHIKONAT-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H18N2O5S2/c1-4-8(5-6-9-16(3,11)12)7-10-17(13,14)15-2/h4,9-10H,5-7H2,1-3H3/b8-4-.
What are the key properties of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate?
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate has a molecular weight of 286.38 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate is sourced from PubChem (CID 58850995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).