(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride

C15H20ClNS2 — CID 171234523

IUPAC(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCC(C)(C)Sc1ccccc1[C@@H](N)c1cccs1.Cl
InChIInChI=1S/C15H19NS2.ClH/c1-15(2,3)18-12-8-5-4-7-11(12)14(16)13-9-6-10-17-13;/h4-10,14H,16H2,1-3H3;1H/t14-;/m1./s1
InChIKeyCHXJKPRGKNEOLR-PFEQFJNWSA-N
MW313.92 g/mol
LogP5.11
Rot. Bonds3

About (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride

(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171234523) has the molecular formula C15H20ClNS2 and a molecular weight of 313.92 g/mol. Its IUPAC name is (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171234523
Molecular FormulaC15H20ClNS2
Molecular Weight313.92 g/mol
Exact Mass313.07
IUPAC Name(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCC(C)(C)Sc1ccccc1[C@@H](N)c1cccs1.Cl
InChIInChI=1S/C15H19NS2.ClH/c1-15(2,3)18-12-8-5-4-7-11(12)14(16)13-9-6-10-17-13;/h4-10,14H,16H2,1-3H3;1H/t14-;/m1./s1
InChIKeyCHXJKPRGKNEOLR-PFEQFJNWSA-N
XLogP5.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.92
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)propan-2-ol
CID 171271209
(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine
CID 66511757
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride
CID 171221604
(1S)-1-(2-tert-butylsulfanylphenyl)propane-1,3-diamine
CID 171234486
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540
(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
CID 171214856
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-3-methylbutan-2-ol
CID 171271221

Frequently Asked Questions

What is the IUPAC name of (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171234523) is (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride is CC(C)(C)Sc1ccccc1[C@@H](N)c1cccs1.Cl.
What is the InChIKey of (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is CHXJKPRGKNEOLR-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H19NS2.ClH/c1-15(2,3)18-12-8-5-4-7-11(12)14(16)13-9-6-10-17-13;/h4-10,14H,16H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 313.92 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171234523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).