[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol

C11H17NO2S — CID 79134716

IUPAC[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
SMILESNCC1(C(O)c2cccs2)CCOCC1
InChIInChI=1S/C11H17NO2S/c12-8-11(3-5-14-6-4-11)10(13)9-2-1-7-15-9/h1-2,7,10,13H,3-6,8,12H2
InChIKeyWTJZGWOOVDQDIA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.54
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol

[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol (PubChem CID 79134716) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
PubChem CID79134716
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
SMILESNCC1(C(O)c2cccs2)CCOCC1
InChIInChI=1S/C11H17NO2S/c12-8-11(3-5-14-6-4-11)10(13)9-2-1-7-15-9/h1-2,7,10,13H,3-6,8,12H2
InChIKeyWTJZGWOOVDQDIA-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138820
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
CID 79134603
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
[3-(aminomethyl)oxolan-3-yl]-(3-bromothiophen-2-yl)methanol
CID 115381508
(R)-[(1S,2S)-1-(aminomethyl)-2-methylcyclopropyl]-thiophen-2-ylmethanol
CID 99962438
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
(1-morpholin-4-ylcyclopentyl)-thiophen-2-ylmethanol
CID 79060219
1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
CID 103451819
[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 79135068
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol (CID 79134716) is [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol is NCC1(C(O)c2cccs2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol?
The InChIKey is WTJZGWOOVDQDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c12-8-11(3-5-14-6-4-11)10(13)9-2-1-7-15-9/h1-2,7,10,13H,3-6,8,12H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol?
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol has a molecular weight of 227.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 79134716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).