N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine

C11H17NS2 — CID 80626981

IUPACN-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)C1CCCS1
InChIInChI=1S/C11H17NS2/c1-2-12-11(9-5-7-13-8-9)10-4-3-6-14-10/h5,7-8,10-12H,2-4,6H2,1H3
InChIKeyNEVVTTARZQQCBS-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.29
Rot. Bonds4

About N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine

N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine (PubChem CID 80626981) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
PubChem CID80626981
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC NameN-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)C1CCCS1
InChIInChI=1S/C11H17NS2/c1-2-12-11(9-5-7-13-8-9)10-4-3-6-14-10/h5,7-8,10-12H,2-4,6H2,1H3
InChIKeyNEVVTTARZQQCBS-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[thiolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80626863
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
CID 81224734
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741

Frequently Asked Questions

What is the IUPAC name of N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine (CID 80626981) is N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1)C1CCCS1.
What is the InChIKey of N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine?
The InChIKey is NEVVTTARZQQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-2-12-11(9-5-7-13-8-9)10-4-3-6-14-10/h5,7-8,10-12H,2-4,6H2,1H3.
What are the key properties of N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine?
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine has a molecular weight of 227.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 80626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).