[(Z)-hex-4-enyl] sulfamate

C6H13NO3S — CID 91862963

IUPAC[(Z)-hex-4-enyl] sulfamate
SMILESC/C=C\CCCOS(N)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)/b3-2-
InChIKeyIMVMAVOPAZISSH-IHWYPQMZSA-N
MW179.24 g/mol
LogP0.56
Rot. Bonds5

About [(Z)-hex-4-enyl] sulfamate

[(Z)-hex-4-enyl] sulfamate (PubChem CID 91862963) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is [(Z)-hex-4-enyl] sulfamate.

Molecular Properties

Compound Name[(Z)-hex-4-enyl] sulfamate
PubChem CID91862963
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name[(Z)-hex-4-enyl] sulfamate
SMILESC/C=C\CCCOS(N)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)/b3-2-
InChIKeyIMVMAVOPAZISSH-IHWYPQMZSA-N
XLogP0.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

CID 87410650
CID 87410650
undeca-4,5-dienyl sulfamate
CID 118600711
3-oxobutyl sulfamate
CID 165129183
dodecyl sulfamate;indigane
CID 174847120
hex-4-enyl (E)-non-7-enoate
CID 155355569
[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
CID 134484581
hydroxy-oxo-pent-3-enoxy-sulfanylidene-λ6-sulfane
CID 54564918
[(E)-hex-4-enyl] 2,2,2-trifluoroacetate
CID 91694359
6-propoxyhex-2-ene
CID 90940271
bis[(E)-hex-4-enoxy]-dimethylsilane
CID 91697811
tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-4-enyl] sulfamate?
The IUPAC name of [(Z)-hex-4-enyl] sulfamate (CID 91862963) is [(Z)-hex-4-enyl] sulfamate.
What is the SMILES notation for [(Z)-hex-4-enyl] sulfamate?
The canonical SMILES for [(Z)-hex-4-enyl] sulfamate is C/C=C\CCCOS(N)(=O)=O.
What is the InChIKey of [(Z)-hex-4-enyl] sulfamate?
The InChIKey is IMVMAVOPAZISSH-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)/b3-2-.
What are the key properties of [(Z)-hex-4-enyl] sulfamate?
[(Z)-hex-4-enyl] sulfamate has a molecular weight of 179.24 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-4-enyl] sulfamate is sourced from PubChem (CID 91862963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).