2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine

C11H17NOS2 — CID 62994820

IUPAC2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine
SMILESNCC(SC1CCOCC1)c1ccsc1
InChIInChI=1S/C11H17NOS2/c12-7-11(9-3-6-14-8-9)15-10-1-4-13-5-2-10/h3,6,8,10-11H,1-2,4-5,7,12H2
InChIKeyNBCQPSDBZGORMQ-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.66
Rot. Bonds4

About 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine

2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine (PubChem CID 62994820) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine
PubChem CID62994820
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine
SMILESNCC(SC1CCOCC1)c1ccsc1
InChIInChI=1S/C11H17NOS2/c12-7-11(9-3-6-14-8-9)15-10-1-4-13-5-2-10/h3,6,8,10-11H,1-2,4-5,7,12H2
InChIKeyNBCQPSDBZGORMQ-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 62995717
[2-(oxan-4-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196721
1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
CID 62382577
2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine
CID 107748996
4-[4-(1-thiophen-3-ylethyl)phenyl]oxane
CID 145282703
2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
CID 55015755
4-(2-amino-1-thiophen-3-ylethyl)morpholine-3-carboxamide
CID 83102015
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747
2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
CID 66321305
1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine
CID 62995172
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine?
The IUPAC name of 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine (CID 62994820) is 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine is NCC(SC1CCOCC1)c1ccsc1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine?
The InChIKey is NBCQPSDBZGORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c12-7-11(9-3-6-14-8-9)15-10-1-4-13-5-2-10/h3,6,8,10-11H,1-2,4-5,7,12H2.
What are the key properties of 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine?
2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine has a molecular weight of 243.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62994820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).