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

C15H20NS+ — CID 7130716

IUPAC[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
SMILESCC[C@@H](C)c1ccc([C@@H]([NH3+])c2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-3-11(2)12-6-8-13(9-7-12)15(16)14-5-4-10-17-14/h4-11,15H,3,16H2,1-2H3/p+1/t11-,15-/m1/s1
InChIKeyVBDAKYDKBDGKNF-IAQYHMDHSA-O
MW246.40 g/mol
LogP3.59
Rot. Bonds4

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

[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium (PubChem CID 7130716) has the molecular formula C15H20NS+ and a molecular weight of 246.40 g/mol. Its IUPAC name is [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
PubChem CID7130716
Molecular FormulaC15H20NS+
Molecular Weight246.40 g/mol
Exact Mass246.13
IUPAC Name[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
SMILESCC[C@@H](C)c1ccc([C@@H]([NH3+])c2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-3-11(2)12-6-8-13(9-7-12)15(16)14-5-4-10-17-14/h4-11,15H,3,16H2,1-2H3/p+1/t11-,15-/m1/s1
InChIKeyVBDAKYDKBDGKNF-IAQYHMDHSA-O
XLogP3.59
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747
[(2S)-1-amino-1-oxopropan-2-yl]-[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
CID 8996708
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
1-butan-2-yl-4-fluorobenzene
CID 11829648
[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8996836
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
2-propan-2-ylthiophene
CID 178128598
(4-butan-2-ylphenyl)azanium chloride
CID 91157612
1-butan-2-yl-4-ethylbenzene;carbanide;zirconium(3+)
CID 58665646
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8996916
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054

Frequently Asked Questions

What is the IUPAC name of [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium?
The IUPAC name of [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium (CID 7130716) is [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium is CC[C@@H](C)c1ccc([C@@H]([NH3+])c2cccs2)cc1.
What is the InChIKey of [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium?
The InChIKey is VBDAKYDKBDGKNF-IAQYHMDHSA-O. The full InChI is InChI=1S/C15H19NS/c1-3-11(2)12-6-8-13(9-7-12)15(16)14-5-4-10-17-14/h4-11,15H,3,16H2,1-2H3/p+1/t11-,15-/m1/s1.
What are the key properties of [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium?
[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium has a molecular weight of 246.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 7130716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).