2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine

C11H16ClNO2S2 — CID 115841541

IUPAC2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)C1CCCCS1(=O)=O
InChIInChI=1S/C11H16ClNO2S2/c12-11-5-4-8(16-11)7-9(13)10-3-1-2-6-17(10,14)15/h4-5,9-10H,1-3,6-7,13H2
InChIKeyOHNHCRJOQHUOGO-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine (PubChem CID 115841541) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
PubChem CID115841541
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)C1CCCCS1(=O)=O
InChIInChI=1S/C11H16ClNO2S2/c12-11-5-4-8(16-11)7-9(13)10-3-1-2-6-17(10,14)15/h4-5,9-10H,1-3,6-7,13H2
InChIKeyOHNHCRJOQHUOGO-UHFFFAOYSA-N
XLogP2.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(2,5-dimethylphenyl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 104519961
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
2-(2-bromo-5-fluorophenyl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 115843641
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
2-(1,3-benzoxazol-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 104520107
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
2-[chloro-(5-ethylthiophen-2-yl)methyl]thiane 1,1-dioxide
CID 104521280
3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 55083701
2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088
[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105296014

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine (CID 115841541) is 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine is NC(Cc1ccc(Cl)s1)C1CCCCS1(=O)=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine?
The InChIKey is OHNHCRJOQHUOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c12-11-5-4-8(16-11)7-9(13)10-3-1-2-6-17(10,14)15/h4-5,9-10H,1-3,6-7,13H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine has a molecular weight of 293.84 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine is sourced from PubChem (CID 115841541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).