(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol

C10H23NOS — CID 98793114

IUPAC(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol
SMILESCCSC[C@@H](C)N(C)C[C@H](O)CC
InChIInChI=1S/C10H23NOS/c1-5-10(12)7-11(4)9(3)8-13-6-2/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyKSADNWKUXKVQRM-NXEZZACHSA-N
MW205.37 g/mol
LogP1.83
Rot. Bonds7

About (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol

(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol (PubChem CID 98793114) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol
PubChem CID98793114
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol
SMILESCCSC[C@@H](C)N(C)C[C@H](O)CC
InChIInChI=1S/C10H23NOS/c1-5-10(12)7-11(4)9(3)8-13-6-2/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyKSADNWKUXKVQRM-NXEZZACHSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol with MolForge

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Related Compounds

1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
CID 111487223
3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63902045
1-[2-hydroxybutyl(oxido)amino]butan-2-ol
CID 88520164
1-(2,4-dihydroxyhexylsulfanyl)hexane-2,4-diol
CID 139888298
(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
CID 131224547
pentan-3-ol
CID 11428
1-[bis[2-(dimethylamino)ethyl]amino]butan-2-ol
CID 22055175
2-(dimethylamino)-3-ethylsulfanylpropan-1-ol
CID 130146681
1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione
CID 75386819
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol (CID 98793114) is (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol is CCSC[C@@H](C)N(C)C[C@H](O)CC.
What is the InChIKey of (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol?
The InChIKey is KSADNWKUXKVQRM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-10(12)7-11(4)9(3)8-13-6-2/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol?
(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol is sourced from PubChem (CID 98793114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).