[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine

C11H17NOS — CID 114534046

IUPAC[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-9-11(8-12,3-4-13-9)6-10-2-5-14-7-10/h2,5,7,9H,3-4,6,8,12H2,1H3
InChIKeyIXXMIHVUMQGPMV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.04
Rot. Bonds3

About [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine

[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 114534046) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
PubChem CID114534046
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-9-11(8-12,3-4-13-9)6-10-2-5-14-7-10/h2,5,7,9H,3-4,6,8,12H2,1H3
InChIKeyIXXMIHVUMQGPMV-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534386
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
CID 114535442
[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanamine
CID 114534069
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533952
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026
2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
CID 164646247
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621420
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533
4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
CID 130520190
[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535679

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine (CID 114534046) is [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine is CC1OCCC1(CN)Cc1ccsc1.
What is the InChIKey of [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is IXXMIHVUMQGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-11(8-12,3-4-13-9)6-10-2-5-14-7-10/h2,5,7,9H,3-4,6,8,12H2,1H3.
What are the key properties of [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine?
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 114534046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).