N-[(E)-hept-4-enyl]methanesulfonamide

C8H17NO2S — CID 134862066

IUPACN-[(E)-hept-4-enyl]methanesulfonamide
SMILESCC/C=C/CCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChIKeyKLYGLWFEALLESF-SNAWJCMRSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds6

About N-[(E)-hept-4-enyl]methanesulfonamide

N-[(E)-hept-4-enyl]methanesulfonamide (PubChem CID 134862066) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-[(E)-hept-4-enyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-hept-4-enyl]methanesulfonamide
PubChem CID134862066
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-[(E)-hept-4-enyl]methanesulfonamide
SMILESCC/C=C/CCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h4-5,9H,3,6-8H2,1-2H3/b5-4+
InChIKeyKLYGLWFEALLESF-SNAWJCMRSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylhept-4-en-1-amine
CID 122695118
(Z)-7-ethylsulfonylhept-3-ene
CID 89382151
(Z)-N-propylhept-4-en-1-amine
CID 142957499
N-(3-aminopropyl)methanesulfonamide
CID 18350602
(E)-heptadec-14-enal
CID 5367667
(3E,16E)-nonadeca-3,16-diene
CID 157471321
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
lithium (Z)-oct-3-ene
CID 173433093
bis[(E)-oct-5-enyl] sulfate
CID 20847790
N-(5-iodopentyl)methanesulfonamide
CID 107322901
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-4-enyl]methanesulfonamide?
The IUPAC name of N-[(E)-hept-4-enyl]methanesulfonamide (CID 134862066) is N-[(E)-hept-4-enyl]methanesulfonamide.
What is the SMILES notation for N-[(E)-hept-4-enyl]methanesulfonamide?
The canonical SMILES for N-[(E)-hept-4-enyl]methanesulfonamide is CC/C=C/CCCNS(C)(=O)=O.
What is the InChIKey of N-[(E)-hept-4-enyl]methanesulfonamide?
The InChIKey is KLYGLWFEALLESF-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h4-5,9H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of N-[(E)-hept-4-enyl]methanesulfonamide?
N-[(E)-hept-4-enyl]methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-4-enyl]methanesulfonamide is sourced from PubChem (CID 134862066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).