N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide

C10H17NO3S — CID 99975558

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CC)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO3S/c1-3-6-11(10(12)4-2)9-5-7-15(13,14)8-9/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyBUBHSZCSVPHYJE-SECBINFHSA-N
MW231.32 g/mol
LogP0.60
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide (PubChem CID 99975558) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
PubChem CID99975558
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CC)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO3S/c1-3-6-11(10(12)4-2)9-5-7-15(13,14)8-9/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyBUBHSZCSVPHYJE-SECBINFHSA-N
XLogP0.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.60
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-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
CID 63374585
2-[(1,1-dioxothiolan-3-yl)-prop-2-enylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975420
N-(1,1-dioxothiolan-3-yl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 119744668
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60560710
3-amino-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-prop-2-enylpropanamide
CID 119950451
cis-(1R,3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 124860037
cis-(1R,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 97022026
(2S,5R)-5-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyloxolane-2-carboxamide
CID 120789394
2-[acetyl(prop-2-enyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113158526
(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
CID 70659127

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide (CID 99975558) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide is C=CCN(C(=O)CC)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide?
The InChIKey is BUBHSZCSVPHYJE-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-3-6-11(10(12)4-2)9-5-7-15(13,14)8-9/h3,9H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide has a molecular weight of 231.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 99975558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).