(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine

C10H19NO2S — CID 70659127

IUPAC(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(C(C)C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-4-6-11(9(2)3)10-5-7-14(12,13)8-10/h4,9-10H,1,5-8H2,2-3H3/t10-/m0/s1
InChIKeyFLXAZERQYFKMMK-JTQLQIEISA-N
MW217.33 g/mol
LogP1.07
Rot. Bonds4

About (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine

(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine (PubChem CID 70659127) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine.

Molecular Properties

Compound Name(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
PubChem CID70659127
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(C(C)C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-4-6-11(9(2)3)10-5-7-14(12,13)8-10/h4,9-10H,1,5-8H2,2-3H3/t10-/m0/s1
InChIKeyFLXAZERQYFKMMK-JTQLQIEISA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.07
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-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
CID 99975558
N-(1,1-dioxothiolan-3-yl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 119744668
2-[(1,1-dioxothiolan-3-yl)-ethylamino]propanoic acid
CID 20986140
2-[acetyl(prop-2-enyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113158526
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
2-[(1,1-dioxothiolan-3-yl)-prop-2-enylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975420
3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
CID 79408822
2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]propanoic acid
CID 22680620
1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-ylsulfanylphenyl)-1-prop-2-enylurea
CID 75393775
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
3-cyano-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 82118099

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
The IUPAC name of (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine (CID 70659127) is (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine.
What is the SMILES notation for (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
The canonical SMILES for (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine is C=CCN(C(C)C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
The InChIKey is FLXAZERQYFKMMK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-6-11(9(2)3)10-5-7-14(12,13)8-10/h4,9-10H,1,5-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine is sourced from PubChem (CID 70659127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).