(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine

C10H15NOS — CID 104988595

IUPAC(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
SMILESCC1CC(C(N)c2ccsc2)CO1
InChIInChI=1S/C10H15NOS/c1-7-4-9(5-12-7)10(11)8-2-3-13-6-8/h2-3,6-7,9-10H,4-5,11H2,1H3
InChIKeyQRIWQQHBIUMKKU-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.17
Rot. Bonds2

About (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine

(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine (PubChem CID 104988595) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
PubChem CID104988595
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
SMILESCC1CC(C(N)c2ccsc2)CO1
InChIInChI=1S/C10H15NOS/c1-7-4-9(5-12-7)10(11)8-2-3-13-6-8/h2-3,6-7,9-10H,4-5,11H2,1H3
InChIKeyQRIWQQHBIUMKKU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825332
(S)-cyclobutyl(thiophen-3-yl)methanamine
CID 96933189
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798359
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
(3-ethylcyclopentyl)-thiophen-3-ylmethanamine
CID 65410617
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977
(2-methylcyclopentyl)-thiophen-3-ylmethanamine
CID 107189168
(7-bromo-1-benzothiophen-3-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825350
1,4-dithian-2-yl(thiophen-3-yl)methanamine
CID 79970704
(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758237
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine?
The IUPAC name of (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine (CID 104988595) is (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine?
The canonical SMILES for (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine is CC1CC(C(N)c2ccsc2)CO1.
What is the InChIKey of (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine?
The InChIKey is QRIWQQHBIUMKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-4-9(5-12-7)10(11)8-2-3-13-6-8/h2-3,6-7,9-10H,4-5,11H2,1H3.
What are the key properties of (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine?
(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine has a molecular weight of 197.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 104988595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).