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

C11H24N2O5S2 — CID 58761569

IUPACmethyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
SMILESCCCCC=C(CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C11H24N2O5S2/c1-4-5-6-7-11(8-9-12-19(3,14)15)10-13-20(16,17)18-2/h7,12-13H,4-6,8-10H2,1-3H3
InChIKeySZMMVTGPOGIJRY-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.52
Rot. Bonds11

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

methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate (PubChem CID 58761569) has the molecular formula C11H24N2O5S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
PubChem CID58761569
Molecular FormulaC11H24N2O5S2
Molecular Weight328.46 g/mol
Exact Mass328.11
IUPAC Namemethyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
SMILESCCCCC=C(CCNS(C)(=O)=O)CNS(=O)(=O)OC
InChIInChI=1S/C11H24N2O5S2/c1-4-5-6-7-11(8-9-12-19(3,14)15)10-13-20(16,17)18-2/h7,12-13H,4-6,8-10H2,1-3H3
InChIKeySZMMVTGPOGIJRY-UHFFFAOYSA-N
XLogP0.52
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhex-4-enyl)methanesulfonamide
CID 166441657
(E)-N-(3,7-dimethylocta-2,6-dien-1-yl)methanesulfonamide
CID 15641109
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate
CID 58850995
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate
CID 59841424
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate
CID 59841425
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
CID 89240347
N-(3,7-dimethylocta-2,6-dienyl)methanesulfonamide
CID 123181161
methyl (Z)-3-[2-(methanesulfonamido)ethyl]oct-3-ene-1-sulfonate
CID 123634575
N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfonamide
CID 161644484
CID 161832607
CID 161832607
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]methanedisulfonamide
CID 10425528
N'-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]methanedisulfonamide
CID 10475641

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate?
The IUPAC name of methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate (CID 58761569) is methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate.
What is the SMILES notation for methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate?
The canonical SMILES for methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate is CCCCC=C(CCNS(C)(=O)=O)CNS(=O)(=O)OC.
What is the InChIKey of methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate?
The InChIKey is SZMMVTGPOGIJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5S2/c1-4-5-6-7-11(8-9-12-19(3,14)15)10-13-20(16,17)18-2/h7,12-13H,4-6,8-10H2,1-3H3.
What are the key properties of methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate?
methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate has a molecular weight of 328.46 g/mol, XLogP of 0.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate is sourced from PubChem (CID 58761569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).