2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide

C11H20N2O3S — CID 63923148

IUPAC2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-3-6-12-11(14)9(2)13-10-5-4-7-17(15,16)8-10/h3,9-10,13H,1,4-8H2,2H3,(H,12,14)
InChIKeyOONXYHREYDHWNP-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide

2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide (PubChem CID 63923148) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
PubChem CID63923148
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-3-6-12-11(14)9(2)13-10-5-4-7-17(15,16)8-10/h3,9-10,13H,1,4-8H2,2H3,(H,12,14)
InChIKeyOONXYHREYDHWNP-UHFFFAOYSA-N
XLogP-0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 63923344
2-[(3-methylsulfanylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 114123114
2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
CID 115695289
2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
CID 63924534
4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide
CID 103062825
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
CID 115880295
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
CID 43086730

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide (CID 63923148) is 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide?
The InChIKey is OONXYHREYDHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-6-12-11(14)9(2)13-10-5-4-7-17(15,16)8-10/h3,9-10,13H,1,4-8H2,2H3,(H,12,14).
What are the key properties of 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide?
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide has a molecular weight of 260.36 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 63923148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).