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

C10H22N2O5S2 — CID 59841425

IUPACmethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate
SMILESCCC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C10H22N2O5S2/c1-4-5-6-10(7-8-11-18(3,13)14)9-12-19(15,16)17-2/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyCRQSDLBWRZYYIZ-POHAHGRESA-N
MW314.43 g/mol
LogP0.13
Rot. Bonds10

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

methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate (PubChem CID 59841425) has the molecular formula C10H22N2O5S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate.

Molecular Properties

Compound Namemethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate
PubChem CID59841425
Molecular FormulaC10H22N2O5S2
Molecular Weight314.43 g/mol
Exact Mass314.10
IUPAC Namemethyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate
SMILESCCC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C10H22N2O5S2/c1-4-5-6-10(7-8-11-18(3,13)14)9-12-19(15,16)17-2/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyCRQSDLBWRZYYIZ-POHAHGRESA-N
XLogP0.13
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.13
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]hex-2-enyl]sulfamate?
The IUPAC name of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate (CID 59841425) is methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate.
What is the SMILES notation for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate?
The canonical SMILES for methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate is CCC/C=C(/CCNS(C)(=O)=O)CNS(=O)(=O)OC.
What is the InChIKey of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate?
The InChIKey is CRQSDLBWRZYYIZ-POHAHGRESA-N. The full InChI is InChI=1S/C10H22N2O5S2/c1-4-5-6-10(7-8-11-18(3,13)14)9-12-19(15,16)17-2/h6,11-12H,4-5,7-9H2,1-3H3/b10-6-.
What are the key properties of methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate?
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate has a molecular weight of 314.43 g/mol, XLogP of 0.13, 10 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]hex-2-enyl]sulfamate is sourced from PubChem (CID 59841425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).