(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide

C14H23NO3S — CID 95266358

IUPAC(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(C(=O)[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H23NO3S/c1-2-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-3-5-7-12/h3-4,12-13H,2,5-11H2,1H3/t12-,13-/m0/s1
InChIKeyONTUYIDPNAYYDF-STQMWFEESA-N
MW285.41 g/mol
LogP1.77
Rot. Bonds4

About (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide

(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide (PubChem CID 95266358) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
PubChem CID95266358
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(C(=O)[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H23NO3S/c1-2-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-3-5-7-12/h3-4,12-13H,2,5-11H2,1H3/t12-,13-/m0/s1
InChIKeyONTUYIDPNAYYDF-STQMWFEESA-N
XLogP1.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
CID 60805911
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 33094541
2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 52556128
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
(1R,2R,4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98426468
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide (CID 95266358) is (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide is CCCN(C(=O)[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide?
The InChIKey is ONTUYIDPNAYYDF-STQMWFEESA-N. The full InChI is InChI=1S/C14H23NO3S/c1-2-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-3-5-7-12/h3-4,12-13H,2,5-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide?
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95266358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).