N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide

C13H24N2O3S — CID 119033131

IUPACN-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide
SMILESCCC(=CC(=O)N(C1CCS(=O)(=O)C1)N(C)C)CC
InChIInChI=1S/C13H24N2O3S/c1-5-11(6-2)9-13(16)15(14(3)4)12-7-8-19(17,18)10-12/h9,12H,5-8,10H2,1-4H3
InChIKeyFCAQLSDRAUYJPI-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.23
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide

N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide (PubChem CID 119033131) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide
PubChem CID119033131
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide
SMILESCCC(=CC(=O)N(C1CCS(=O)(=O)C1)N(C)C)CC
InChIInChI=1S/C13H24N2O3S/c1-5-11(6-2)9-13(16)15(14(3)4)12-7-8-19(17,18)10-12/h9,12H,5-8,10H2,1-4H3
InChIKeyFCAQLSDRAUYJPI-UHFFFAOYSA-N
XLogP1.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 99976652
ethyl N-(dimethylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
CID 99976651
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide
CID 7503503
(E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 7614597
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethylprop-2-enehydrazide
CID 39967572
3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethylbenzohydrazide
CID 40842810
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
CID 99975558
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide (CID 119033131) is N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide is CCC(=CC(=O)N(C1CCS(=O)(=O)C1)N(C)C)CC.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide?
The InChIKey is FCAQLSDRAUYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-5-11(6-2)9-13(16)15(14(3)4)12-7-8-19(17,18)10-12/h9,12H,5-8,10H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide?
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide has a molecular weight of 288.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide is sourced from PubChem (CID 119033131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).