2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine

C10H14ClNS3 — CID 79971043

IUPAC2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)C1CSCCS1
InChIInChI=1S/C10H14ClNS3/c11-10-2-1-7(15-10)5-8(12)9-6-13-3-4-14-9/h1-2,8-9H,3-6,12H2
InChIKeyLOVZQXIKXICQRO-UHFFFAOYSA-N
MW279.88 g/mol
LogP3.12
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine (PubChem CID 79971043) has the molecular formula C10H14ClNS3 and a molecular weight of 279.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine
PubChem CID79971043
Molecular FormulaC10H14ClNS3
Molecular Weight279.88 g/mol
Exact Mass279.00
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)C1CSCCS1
InChIInChI=1S/C10H14ClNS3/c11-10-2-1-7(15-10)5-8(12)9-6-13-3-4-14-9/h1-2,8-9H,3-6,12H2
InChIKeyLOVZQXIKXICQRO-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(2-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethanamine
CID 112653875
1-(1,4-dithian-2-yl)-2-(4-iodophenyl)ethanamine
CID 79971387
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanone
CID 79971128
1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79971404
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(1,4-dithian-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 79973094
2-(5-chlorothiophen-2-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79970087

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine (CID 79971043) is 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine is NC(Cc1ccc(Cl)s1)C1CSCCS1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine?
The InChIKey is LOVZQXIKXICQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS3/c11-10-2-1-7(15-10)5-8(12)9-6-13-3-4-14-9/h1-2,8-9H,3-6,12H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine has a molecular weight of 279.88 g/mol, XLogP of 3.12, 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-(1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 79971043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).