(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide

C15H19NO4S — CID 106364399

IUPAC(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(/C=C/S(=O)(=O)c1ccccc1)NC1CCCC1CO
InChIInChI=1S/C15H19NO4S/c17-11-12-5-4-8-14(12)16-15(18)9-10-21(19,20)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,14,17H,4-5,8,11H2,(H,16,18)/b10-9+
InChIKeyNTAWJFQDVIHDTF-MDZDMXLPSA-N
MW309.39 g/mol
LogP1.25
Rot. Bonds5

About (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide

(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide (PubChem CID 106364399) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
PubChem CID106364399
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(/C=C/S(=O)(=O)c1ccccc1)NC1CCCC1CO
InChIInChI=1S/C15H19NO4S/c17-11-12-5-4-8-14(12)16-15(18)9-10-21(19,20)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,14,17H,4-5,8,11H2,(H,16,18)/b10-9+
InChIKeyNTAWJFQDVIHDTF-MDZDMXLPSA-N
XLogP1.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide
CID 76873750
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103774226
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-3-(benzenesulfonyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550405
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113259271
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358

Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide (CID 106364399) is (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide is O=C(/C=C/S(=O)(=O)c1ccccc1)NC1CCCC1CO.
What is the InChIKey of (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The InChIKey is NTAWJFQDVIHDTF-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-11-12-5-4-8-14(12)16-15(18)9-10-21(19,20)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,14,17H,4-5,8,11H2,(H,16,18)/b10-9+.
What are the key properties of (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide has a molecular weight of 309.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 106364399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).