(5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine

C11H16ClNS3 — CID 115387632

IUPAC(5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
SMILESCCC1SCCSC1C(N)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS3/c1-2-7-11(15-6-5-14-7)10(13)8-3-4-9(12)16-8/h3-4,7,10-11H,2,5-6,13H2,1H3
InChIKeyKTZDHQMOGVWFJR-UHFFFAOYSA-N
MW293.91 g/mol
LogP4.03
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine

(5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine (PubChem CID 115387632) has the molecular formula C11H16ClNS3 and a molecular weight of 293.91 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
PubChem CID115387632
Molecular FormulaC11H16ClNS3
Molecular Weight293.91 g/mol
Exact Mass293.01
IUPAC Name(5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
SMILESCCC1SCCSC1C(N)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS3/c1-2-7-11(15-6-5-14-7)10(13)8-3-4-9(12)16-8/h3-4,7,10-11H,2,5-6,13H2,1H3
InChIKeyKTZDHQMOGVWFJR-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500
(4-chloro-2-fluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 115387570
(3-ethyl-1,4-dithian-2-yl)-(4-propylphenyl)methanamine
CID 115387540
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497
(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 115387682
(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 113299684
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881896
(1,4-dimethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 112742343
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 114659571

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine (CID 115387632) is (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine is CCC1SCCSC1C(N)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
The InChIKey is KTZDHQMOGVWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS3/c1-2-7-11(15-6-5-14-7)10(13)8-3-4-9(12)16-8/h3-4,7,10-11H,2,5-6,13H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
(5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine has a molecular weight of 293.91 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 115387632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).