3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol

C14H21NOS2 — CID 115387483

IUPAC3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol
SMILESCCC1SCCSC1C(N)Cc1cccc(O)c1
InChIInChI=1S/C14H21NOS2/c1-2-13-14(18-7-6-17-13)12(15)9-10-4-3-5-11(16)8-10/h3-5,8,12-14,16H,2,6-7,9,15H2,1H3
InChIKeyCEXQHNDSLWICGO-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol

3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol (PubChem CID 115387483) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol
PubChem CID115387483
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC Name3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol
SMILESCCC1SCCSC1C(N)Cc1cccc(O)c1
InChIInChI=1S/C14H21NOS2/c1-2-13-14(18-7-6-17-13)12(15)9-10-4-3-5-11(16)8-10/h3-5,8,12-14,16H,2,6-7,9,15H2,1H3
InChIKeyCEXQHNDSLWICGO-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
CID 104736697
1-(3-ethyl-1,4-dithian-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 115387815
1-(3-methyl-1,4-dithian-2-yl)-2-phenylethanamine
CID 115386572
(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol
CID 115386492
2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
CID 115386430
1-(3-ethyl-1,4-dithian-2-yl)but-3-yn-1-amine
CID 115387674
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
3-[2-(3-ethyloxiran-2-yl)propyl]phenol
CID 83930339
3-(2-sulfanylpropyl)phenol
CID 115013475
[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine
CID 105259775
1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
CID 79971754
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol?
The IUPAC name of 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol (CID 115387483) is 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol is CCC1SCCSC1C(N)Cc1cccc(O)c1.
What is the InChIKey of 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol?
The InChIKey is CEXQHNDSLWICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-2-13-14(18-7-6-17-13)12(15)9-10-4-3-5-11(16)8-10/h3-5,8,12-14,16H,2,6-7,9,15H2,1H3.
What are the key properties of 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol?
3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol has a molecular weight of 283.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol is sourced from PubChem (CID 115387483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).