(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol

C16H21NOS — CID 98792339

IUPAC(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
SMILESC[C@H](Cc1ccc2ccccc2n1)S[C@@H](C)[C@H](C)O
InChIInChI=1S/C16H21NOS/c1-11(19-13(3)12(2)18)10-15-9-8-14-6-4-5-7-16(14)17-15/h4-9,11-13,18H,10H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyMDARMRPECQSWGD-AGIUHOORSA-N
MW275.42 g/mol
LogP3.67
Rot. Bonds5

About (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol

(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol (PubChem CID 98792339) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
PubChem CID98792339
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
SMILESC[C@H](Cc1ccc2ccccc2n1)S[C@@H](C)[C@H](C)O
InChIInChI=1S/C16H21NOS/c1-11(19-13(3)12(2)18)10-15-9-8-14-6-4-5-7-16(14)17-15/h4-9,11-13,18H,10H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyMDARMRPECQSWGD-AGIUHOORSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol with MolForge

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Related Compounds

(2R,3R)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
CID 97087782
3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol
CID 116752757
(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
1-(2-methyl-4-pyridinyl)-2-quinolin-2-ylethanol
CID 106756244
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol?
The IUPAC name of (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol (CID 98792339) is (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol is C[C@H](Cc1ccc2ccccc2n1)S[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol?
The InChIKey is MDARMRPECQSWGD-AGIUHOORSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(19-13(3)12(2)18)10-15-9-8-14-6-4-5-7-16(14)17-15/h4-9,11-13,18H,10H2,1-3H3/t11-,12+,13+/m1/s1.
What are the key properties of (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol?
(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol has a molecular weight of 275.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 98792339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).