N-(1,1-dioxothiolan-3-yl)thiophen-2-amine

C8H11NO2S2 — CID 83808062

IUPACN-(1,1-dioxothiolan-3-yl)thiophen-2-amine
SMILESO=S1(=O)CCC(Nc2cccs2)C1
InChIInChI=1S/C8H11NO2S2/c10-13(11)5-3-7(6-13)9-8-2-1-4-12-8/h1-2,4,7,9H,3,5-6H2
InChIKeyRMZVAYDOTRUNLS-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.35
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)thiophen-2-amine

N-(1,1-dioxothiolan-3-yl)thiophen-2-amine (PubChem CID 83808062) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)thiophen-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)thiophen-2-amine
PubChem CID83808062
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)thiophen-2-amine
SMILESO=S1(=O)CCC(Nc2cccs2)C1
InChIInChI=1S/C8H11NO2S2/c10-13(11)5-3-7(6-13)9-8-2-1-4-12-8/h1-2,4,7,9H,3,5-6H2
InChIKeyRMZVAYDOTRUNLS-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042976
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
CID 113028610
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113013654
thiophen-2-ylmethyl 2-[(1,1-dioxothiolan-3-yl)amino]acetate
CID 54966659
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113013605
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555793
4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile
CID 115149961
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
CID 31274685
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
5-[(1,1-dioxothiolan-3-yl)amino]isoindole-1,3-dione
CID 43197052
N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 43123013

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)thiophen-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)thiophen-2-amine (CID 83808062) is N-(1,1-dioxothiolan-3-yl)thiophen-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)thiophen-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)thiophen-2-amine is O=S1(=O)CCC(Nc2cccs2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)thiophen-2-amine?
The InChIKey is RMZVAYDOTRUNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c10-13(11)5-3-7(6-13)9-8-2-1-4-12-8/h1-2,4,7,9H,3,5-6H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)thiophen-2-amine?
N-(1,1-dioxothiolan-3-yl)thiophen-2-amine has a molecular weight of 217.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)thiophen-2-amine is sourced from PubChem (CID 83808062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).