1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol

C10H15NO3S2 — CID 61474115

IUPAC1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCc2ccsc2)C1
InChIInChI=1S/C10H15NO3S2/c12-10-7-16(13,14)6-9(10)11-3-1-8-2-4-15-5-8/h2,4-5,9-12H,1,3,6-7H2
InChIKeyCOVZOAGPKBFGNF-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.04
Rot. Bonds4

About 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol

1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol (PubChem CID 61474115) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
PubChem CID61474115
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCc2ccsc2)C1
InChIInChI=1S/C10H15NO3S2/c12-10-7-16(13,14)6-9(10)11-3-1-8-2-4-15-5-8/h2,4-5,9-12H,1,3,6-7H2
InChIKeyCOVZOAGPKBFGNF-UHFFFAOYSA-N
XLogP0.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
CID 42344850
4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 114331750
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61474858
2,5-dimethyl-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761702
N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
CID 95321388
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665713
N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 107906760
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol (CID 61474115) is 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol is O=S1(=O)CC(O)C(NCCc2ccsc2)C1.
What is the InChIKey of 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol?
The InChIKey is COVZOAGPKBFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c12-10-7-16(13,14)6-9(10)11-3-1-8-2-4-15-5-8/h2,4-5,9-12H,1,3,6-7H2.
What are the key properties of 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol?
1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol has a molecular weight of 261.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol is sourced from PubChem (CID 61474115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).