2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine

C10H15NOS — CID 114535442

IUPAC2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
SMILESCC1OCCC1(N)Cc1ccsc1
InChIInChI=1S/C10H15NOS/c1-8-10(11,3-4-12-8)6-9-2-5-13-7-9/h2,5,7-8H,3-4,6,11H2,1H3
InChIKeyPTYYFZZNQQORAS-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine

2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine (PubChem CID 114535442) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
PubChem CID114535442
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
SMILESCC1OCCC1(N)Cc1ccsc1
InChIInChI=1S/C10H15NOS/c1-8-10(11,3-4-12-8)6-9-2-5-13-7-9/h2,5,7-8H,3-4,6,11H2,1H3
InChIKeyPTYYFZZNQQORAS-UHFFFAOYSA-N
XLogP1.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine (CID 114535442) is 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine is CC1OCCC1(N)Cc1ccsc1.
What is the InChIKey of 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine?
The InChIKey is PTYYFZZNQQORAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-10(11,3-4-12-8)6-9-2-5-13-7-9/h2,5,7-8H,3-4,6,11H2,1H3.
What are the key properties of 2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine?
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine has a molecular weight of 197.30 g/mol, XLogP of 1.80, 2 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-amine is sourced from PubChem (CID 114535442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).