4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine

C12H19ClN2OS — CID 66259724

IUPAC4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CNCc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-2-15-11-8-16-7-9(11)5-14-6-10-3-4-12(13)17-10/h3-4,9,11,14-15H,2,5-8H2,1H3
InChIKeyCSMRPMCVDIEOEU-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.12
Rot. Bonds6

About 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine

4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine (PubChem CID 66259724) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine
PubChem CID66259724
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CNCc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-2-15-11-8-16-7-9(11)5-14-6-10-3-4-12(13)17-10/h3-4,9,11,14-15H,2,5-8H2,1H3
InChIKeyCSMRPMCVDIEOEU-UHFFFAOYSA-N
XLogP2.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine
CID 106012094
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 106012165
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-ethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259347
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532810
4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
CID 66257389
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
CID 66007810
4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine
CID 66258957
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
CID 114421555

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine (CID 66259724) is 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine is CCNC1COCC1CNCc1ccc(Cl)s1.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine?
The InChIKey is CSMRPMCVDIEOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-2-15-11-8-16-7-9(11)5-14-6-10-3-4-12(13)17-10/h3-4,9,11,14-15H,2,5-8H2,1H3.
What are the key properties of 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine?
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine has a molecular weight of 274.82 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine is sourced from PubChem (CID 66259724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).