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

C10H16N2OS — CID 64891433

IUPAC3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
SMILESNC1(CNCc2ccsc2)CCOC1
InChIInChI=1S/C10H16N2OS/c11-10(2-3-13-8-10)7-12-5-9-1-4-14-6-9/h1,4,6,12H,2-3,5,7-8,11H2
InChIKeyYRHQWZYPMMCHLO-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.96
Rot. Bonds4

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

3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine (PubChem CID 64891433) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
PubChem CID64891433
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
SMILESNC1(CNCc2ccsc2)CCOC1
InChIInChI=1S/C10H16N2OS/c11-10(2-3-13-8-10)7-12-5-9-1-4-14-6-9/h1,4,6,12H,2-3,5,7-8,11H2
InChIKeyYRHQWZYPMMCHLO-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 62719550
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 66238345
N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
CID 115295514
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
CID 115922577

Frequently Asked Questions

What is the IUPAC name of 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
The IUPAC name of 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine (CID 64891433) is 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine is NC1(CNCc2ccsc2)CCOC1.
What is the InChIKey of 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
The InChIKey is YRHQWZYPMMCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-10(2-3-13-8-10)7-12-5-9-1-4-14-6-9/h1,4,6,12H,2-3,5,7-8,11H2.
What are the key properties of 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine?
3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine has a molecular weight of 212.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 64891433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).