(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol

C13H22N2OS — CID 114056244

IUPAC(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol
SMILESCSCCC(C)N(C)c1ncccc1[C@@H](C)O
InChIInChI=1S/C13H22N2OS/c1-10(7-9-17-4)15(3)13-12(11(2)16)6-5-8-14-13/h5-6,8,10-11,16H,7,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyASVCRLNEXPNGPR-RRKGBCIJSA-N
MW254.40 g/mol
LogP2.71
Rot. Bonds6

About (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol

(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol (PubChem CID 114056244) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol
PubChem CID114056244
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol
SMILESCSCCC(C)N(C)c1ncccc1[C@@H](C)O
InChIInChI=1S/C13H22N2OS/c1-10(7-9-17-4)15(3)13-12(11(2)16)6-5-8-14-13/h5-6,8,10-11,16H,7,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyASVCRLNEXPNGPR-RRKGBCIJSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
3-chloro-N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 136739556
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 133492168
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol (CID 114056244) is (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol is CSCCC(C)N(C)c1ncccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol?
The InChIKey is ASVCRLNEXPNGPR-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(7-9-17-4)15(3)13-12(11(2)16)6-5-8-14-13/h5-6,8,10-11,16H,7,9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol?
(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114056244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).