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

C9H20N2O5S2 — CID 59841424

IUPACmethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate
SMILESCC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C9H20N2O5S2/c1-4-5-9(6-7-10-17(3,12)13)8-11-18(14,15)16-2/h5,10-11H,4,6-8H2,1-3H3/b9-5-
InChIKeyNIVPQUJFFXMUHH-UITAMQMPSA-N
MW300.40 g/mol
LogP-0.26
Rot. Bonds9

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

methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate (PubChem CID 59841424) has the molecular formula C9H20N2O5S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate.

Molecular Properties

Compound Namemethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate
PubChem CID59841424
Molecular FormulaC9H20N2O5S2
Molecular Weight300.40 g/mol
Exact Mass300.08
IUPAC Namemethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate
SMILESCC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C9H20N2O5S2/c1-4-5-9(6-7-10-17(3,12)13)8-11-18(14,15)16-2/h5,10-11H,4,6-8H2,1-3H3/b9-5-
InChIKeyNIVPQUJFFXMUHH-UITAMQMPSA-N
XLogP-0.26
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.26
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]pent-2-enyl]sulfamate?
The IUPAC name of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate (CID 59841424) is methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate.
What is the SMILES notation for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate?
The canonical SMILES for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate is CC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC.
What is the InChIKey of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate?
The InChIKey is NIVPQUJFFXMUHH-UITAMQMPSA-N. The full InChI is InChI=1S/C9H20N2O5S2/c1-4-5-9(6-7-10-17(3,12)13)8-11-18(14,15)16-2/h5,10-11H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate?
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate has a molecular weight of 300.40 g/mol, XLogP of -0.26, 9 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]pent-2-enyl]sulfamate is sourced from PubChem (CID 59841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).