(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol

C11H18N2OS — CID 103955125

IUPAC(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol
SMILESCSCCN(C)c1cc([C@H](C)O)ccn1
InChIInChI=1S/C11H18N2OS/c1-9(14)10-4-5-12-11(8-10)13(2)6-7-15-3/h4-5,8-9,14H,6-7H2,1-3H3/t9-/m0/s1
InChIKeySYKICOPVMUJAKP-VIFPVBQESA-N
MW226.34 g/mol
LogP1.93
Rot. Bonds5

About (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol

(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol (PubChem CID 103955125) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol
PubChem CID103955125
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol
SMILESCSCCN(C)c1cc([C@H](C)O)ccn1
InChIInChI=1S/C11H18N2OS/c1-9(14)10-4-5-12-11(8-10)13(2)6-7-15-3/h4-5,8-9,14H,6-7H2,1-3H3/t9-/m0/s1
InChIKeySYKICOPVMUJAKP-VIFPVBQESA-N
XLogP1.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol
CID 81057807
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-pyridinyl]ethanol
CID 103955147
(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol
CID 103189839
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
CID 102994915
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
3-[cyclobutyl-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864161
(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 99857782
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112660541
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133412324

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol (CID 103955125) is (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol is CSCCN(C)c1cc([C@H](C)O)ccn1.
What is the InChIKey of (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol?
The InChIKey is SYKICOPVMUJAKP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(14)10-4-5-12-11(8-10)13(2)6-7-15-3/h4-5,8-9,14H,6-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol?
(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol is sourced from PubChem (CID 103955125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).