(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol

C19H26N2OS — CID 16663816

IUPAC(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N[C@@H](CSCc1ccccc1)c1ccccn1
InChIInChI=1S/C19H26N2OS/c1-15(2)18(12-22)21-19(17-10-6-7-11-20-17)14-23-13-16-8-4-3-5-9-16/h3-11,15,18-19,21-22H,12-14H2,1-2H3/t18-,19+/m1/s1
InChIKeyBVBFCFKJDAFHAV-MOPGFXCFSA-N
MW330.50 g/mol
LogP3.66
Rot. Bonds9

About (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol

(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol (PubChem CID 16663816) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
PubChem CID16663816
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N[C@@H](CSCc1ccccc1)c1ccccn1
InChIInChI=1S/C19H26N2OS/c1-15(2)18(12-22)21-19(17-10-6-7-11-20-17)14-23-13-16-8-4-3-5-9-16/h3-11,15,18-19,21-22H,12-14H2,1-2H3/t18-,19+/m1/s1
InChIKeyBVBFCFKJDAFHAV-MOPGFXCFSA-N
XLogP3.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
(2R)-2-(2-benzylsulfanylethylamino)-3-methylbutan-1-ol
CID 125480523
2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252384
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
CID 103878434
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
(1-benzylsulfanyl-3-hydroxypropan-2-yl)azanium
CID 4115534
(2R)-2-(benzylsulfanylmethyl)-3-methylbutanoic acid
CID 69474114
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol (CID 16663816) is (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)N[C@@H](CSCc1ccccc1)c1ccccn1.
What is the InChIKey of (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
The InChIKey is BVBFCFKJDAFHAV-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-15(2)18(12-22)21-19(17-10-6-7-11-20-17)14-23-13-16-8-4-3-5-9-16/h3-11,15,18-19,21-22H,12-14H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol has a molecular weight of 330.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-2-benzylsulfanyl-1-pyridin-2-ylethyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 16663816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).