(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine

C10H14BrNOS — CID 97358196

IUPAC(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@@H]1NCc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS/c1-7-10(2-3-13-7)12-5-9-4-8(11)6-14-9/h4,6-7,10,12H,2-3,5H2,1H3/t7-,10+/m1/s1
InChIKeyUFBOMMYMXTYDFH-XCBNKYQSSA-N
MW276.20 g/mol
LogP2.78
Rot. Bonds3

About (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine

(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 97358196) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
PubChem CID97358196
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@@H]1NCc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS/c1-7-10(2-3-13-7)12-5-9-4-8(11)6-14-9/h4,6-7,10,12H,2-3,5H2,1H3/t7-,10+/m1/s1
InChIKeyUFBOMMYMXTYDFH-XCBNKYQSSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 82726555
(2R,3R)-N-[(4-bromofuran-2-yl)methyl]-2-methyloxolan-3-amine
CID 130638115
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
N-[(4-bromothiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43123617
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine (CID 97358196) is (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine is C[C@H]1OCC[C@@H]1NCc1cc(Br)cs1.
What is the InChIKey of (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is UFBOMMYMXTYDFH-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-10(2-3-13-7)12-5-9-4-8(11)6-14-9/h4,6-7,10,12H,2-3,5H2,1H3/t7-,10+/m1/s1.
What are the key properties of (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 276.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 97358196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).