4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine

C10H16N2OS — CID 66238345

IUPAC4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
SMILESNC1COCC1CNCc1ccsc1
InChIInChI=1S/C10H16N2OS/c11-10-6-13-5-9(10)4-12-3-8-1-2-14-7-8/h1-2,7,9-10,12H,3-6,11H2
InChIKeyQQQITKITJJOMHD-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.81
Rot. Bonds4

About 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine

4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine (PubChem CID 66238345) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
PubChem CID66238345
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
SMILESNC1COCC1CNCc1ccsc1
InChIInChI=1S/C10H16N2OS/c11-10-6-13-5-9(10)4-12-3-8-1-2-14-7-8/h1-2,7,9-10,12H,3-6,11H2
InChIKeyQQQITKITJJOMHD-UHFFFAOYSA-N
XLogP0.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 64891433
4-[(2-methylpropylamino)methyl]oxolan-3-amine
CID 66237931
N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 119139537
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine
CID 66238347
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956016

Frequently Asked Questions

What is the IUPAC name of 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine (CID 66238345) is 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine is NC1COCC1CNCc1ccsc1.
What is the InChIKey of 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
The InChIKey is QQQITKITJJOMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-10-6-13-5-9(10)4-12-3-8-1-2-14-7-8/h1-2,7,9-10,12H,3-6,11H2.
What are the key properties of 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine has a molecular weight of 212.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66238345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).