[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

C16H22NOS+ — CID 7827012

IUPAC[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESCC[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C16H21NOS/c1-3-13(2)17-11-14-6-8-15(9-7-14)18-12-16-5-4-10-19-16/h4-10,13,17H,3,11-12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyJFSWELMGLRGKCK-CYBMUJFWSA-O
MW276.43 g/mol
LogP3.19
Rot. Bonds7

About [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (PubChem CID 7827012) has the molecular formula C16H22NOS+ and a molecular weight of 276.43 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
PubChem CID7827012
Molecular FormulaC16H22NOS+
Molecular Weight276.43 g/mol
Exact Mass276.14
IUPAC Name[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESCC[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C16H21NOS/c1-3-13(2)17-11-14-6-8-15(9-7-14)18-12-16-5-4-10-19-16/h4-10,13,17H,3,11-12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyJFSWELMGLRGKCK-CYBMUJFWSA-O
XLogP3.19
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 103937928
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The IUPAC name of [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (CID 7827012) is [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.
What is the SMILES notation for [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The canonical SMILES for [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)cc1.
What is the InChIKey of [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The InChIKey is JFSWELMGLRGKCK-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H21NOS/c1-3-13(2)17-11-14-6-8-15(9-7-14)18-12-16-5-4-10-19-16/h4-10,13,17H,3,11-12H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium has a molecular weight of 276.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 7827012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).