N-[(E)-pent-1-enyl]sulfonylformamide

C6H11NO3S — CID 87905043

IUPACN-[(E)-pent-1-enyl]sulfonylformamide
SMILESCCC/C=C/S(=O)(=O)NC=O
InChIInChI=1S/C6H11NO3S/c1-2-3-4-5-11(9,10)7-6-8/h4-6H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKeyALZOIWOGSWJXQV-SNAWJCMRSA-N
MW177.23 g/mol
LogP0.38
Rot. Bonds5

About N-[(E)-pent-1-enyl]sulfonylformamide

N-[(E)-pent-1-enyl]sulfonylformamide (PubChem CID 87905043) has the molecular formula C6H11NO3S and a molecular weight of 177.23 g/mol. Its IUPAC name is N-[(E)-pent-1-enyl]sulfonylformamide.

Molecular Properties

Compound NameN-[(E)-pent-1-enyl]sulfonylformamide
PubChem CID87905043
Molecular FormulaC6H11NO3S
Molecular Weight177.23 g/mol
Exact Mass177.05
IUPAC NameN-[(E)-pent-1-enyl]sulfonylformamide
SMILESCCC/C=C/S(=O)(=O)NC=O
InChIInChI=1S/C6H11NO3S/c1-2-3-4-5-11(9,10)7-6-8/h4-6H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKeyALZOIWOGSWJXQV-SNAWJCMRSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonylpent-1-ene
CID 57276747
methyl pent-1-ene-1-sulfonate
CID 76785645
N-hex-2-enylformamide
CID 54372150
prop-2-enyl pent-1-ene-1-sulfonate
CID 123535532
(E)-hex-2-enal
CID 158800846
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
2,2,2-trifluoroethyl (E)-pent-1-ene-1-sulfonate
CID 88547783
lithium;butanal;hydride
CID 172997577
sodium 2-[[(E)-icos-1-enyl]sulfonylamino]acetate
CID 101284736
2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid
CID 57249983

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-1-enyl]sulfonylformamide?
The IUPAC name of N-[(E)-pent-1-enyl]sulfonylformamide (CID 87905043) is N-[(E)-pent-1-enyl]sulfonylformamide.
What is the SMILES notation for N-[(E)-pent-1-enyl]sulfonylformamide?
The canonical SMILES for N-[(E)-pent-1-enyl]sulfonylformamide is CCC/C=C/S(=O)(=O)NC=O.
What is the InChIKey of N-[(E)-pent-1-enyl]sulfonylformamide?
The InChIKey is ALZOIWOGSWJXQV-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-2-3-4-5-11(9,10)7-6-8/h4-6H,2-3H2,1H3,(H,7,8)/b5-4+.
What are the key properties of N-[(E)-pent-1-enyl]sulfonylformamide?
N-[(E)-pent-1-enyl]sulfonylformamide has a molecular weight of 177.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-1-enyl]sulfonylformamide is sourced from PubChem (CID 87905043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).