[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol

C10H14BrNO2S — CID 91153468

IUPAC[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol
SMILESNC1(c2cc(Br)cs2)CCOC[C@H]1CO
InChIInChI=1S/C10H14BrNO2S/c11-8-3-9(15-6-8)10(12)1-2-14-5-7(10)4-13/h3,6-7,13H,1-2,4-5,12H2/t7-,10?/m1/s1
InChIKeyXETJSDQFBVRGBV-PVSHWOEXSA-N
MW292.20 g/mol
LogP1.69
Rot. Bonds2

About [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol

[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol (PubChem CID 91153468) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol
PubChem CID91153468
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol
SMILESNC1(c2cc(Br)cs2)CCOC[C@H]1CO
InChIInChI=1S/C10H14BrNO2S/c11-8-3-9(15-6-8)10(12)1-2-14-5-7(10)4-13/h3,6-7,13H,1-2,4-5,12H2/t7-,10?/m1/s1
InChIKeyXETJSDQFBVRGBV-PVSHWOEXSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol?
The IUPAC name of [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol (CID 91153468) is [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol.
What is the SMILES notation for [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol?
The canonical SMILES for [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol is NC1(c2cc(Br)cs2)CCOC[C@H]1CO.
What is the InChIKey of [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol?
The InChIKey is XETJSDQFBVRGBV-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-8-3-9(15-6-8)10(12)1-2-14-5-7(10)4-13/h3,6-7,13H,1-2,4-5,12H2/t7-,10?/m1/s1.
What are the key properties of [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol?
[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol has a molecular weight of 292.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol is sourced from PubChem (CID 91153468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).