N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine

C11H16BrNOS — CID 115710507

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cc(CNCC2CCOC2)sc1Br
InChIInChI=1S/C11H16BrNOS/c1-8-4-10(15-11(8)12)6-13-5-9-2-3-14-7-9/h4,9,13H,2-3,5-7H2,1H3
InChIKeyUOHGBWSTTWSDHE-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.95
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 115710507) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID115710507
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cc(CNCC2CCOC2)sc1Br
InChIInChI=1S/C11H16BrNOS/c1-8-4-10(15-11(8)12)6-13-5-9-2-3-14-7-9/h4,9,13H,2-3,5-7H2,1H3
InChIKeyUOHGBWSTTWSDHE-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 115710864
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
2-bromo-5-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107814501
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 62134262
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741
5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103242542
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
CID 115710605
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 79545727

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 115710507) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine is Cc1cc(CNCC2CCOC2)sc1Br.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is UOHGBWSTTWSDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8-4-10(15-11(8)12)6-13-5-9-2-3-14-7-9/h4,9,13H,2-3,5-7H2,1H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 290.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 115710507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).