(Z)-N-pentylsulfonylbut-2-enamide

C9H17NO3S — CID 142782714

IUPAC(Z)-N-pentylsulfonylbut-2-enamide
SMILESC/C=C\C(=O)NS(=O)(=O)CCCCC
InChIInChI=1S/C9H17NO3S/c1-3-5-6-8-14(12,13)10-9(11)7-4-2/h4,7H,3,5-6,8H2,1-2H3,(H,10,11)/b7-4-
InChIKeyQNGYAAWNOYGPMQ-DAXSKMNVSA-N
MW219.31 g/mol
LogP1.20
Rot. Bonds6

About (Z)-N-pentylsulfonylbut-2-enamide

(Z)-N-pentylsulfonylbut-2-enamide (PubChem CID 142782714) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (Z)-N-pentylsulfonylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-pentylsulfonylbut-2-enamide
PubChem CID142782714
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(Z)-N-pentylsulfonylbut-2-enamide
SMILESC/C=C\C(=O)NS(=O)(=O)CCCCC
InChIInChI=1S/C9H17NO3S/c1-3-5-6-8-14(12,13)10-9(11)7-4-2/h4,7H,3,5-6,8H2,1-2H3,(H,10,11)/b7-4-
InChIKeyQNGYAAWNOYGPMQ-DAXSKMNVSA-N
XLogP1.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-pentylsulfonylbut-2-enamide?
The IUPAC name of (Z)-N-pentylsulfonylbut-2-enamide (CID 142782714) is (Z)-N-pentylsulfonylbut-2-enamide.
What is the SMILES notation for (Z)-N-pentylsulfonylbut-2-enamide?
The canonical SMILES for (Z)-N-pentylsulfonylbut-2-enamide is C/C=C\C(=O)NS(=O)(=O)CCCCC.
What is the InChIKey of (Z)-N-pentylsulfonylbut-2-enamide?
The InChIKey is QNGYAAWNOYGPMQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-5-6-8-14(12,13)10-9(11)7-4-2/h4,7H,3,5-6,8H2,1-2H3,(H,10,11)/b7-4-.
What are the key properties of (Z)-N-pentylsulfonylbut-2-enamide?
(Z)-N-pentylsulfonylbut-2-enamide has a molecular weight of 219.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-pentylsulfonylbut-2-enamide is sourced from PubChem (CID 142782714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).