(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane

C15H22N2OS — CID 159416037

IUPAC(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane
SMILESCC(C)(C)NC[C@H](O)c1ccc2ccccc2n1.S
InChIInChI=1S/C15H20N2O.H2S/c1-15(2,3)16-10-14(18)13-9-8-11-6-4-5-7-12(11)17-13;/h4-9,14,16,18H,10H2,1-3H3;1H2/t14-;/m0./s1
InChIKeyLPECVYCAMQOABH-UQKRIMTDSA-N
MW278.42 g/mol
LogP2.77
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane

(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane (PubChem CID 159416037) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane
PubChem CID159416037
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane
SMILESCC(C)(C)NC[C@H](O)c1ccc2ccccc2n1.S
InChIInChI=1S/C15H20N2O.H2S/c1-15(2,3)16-10-14(18)13-9-8-11-6-4-5-7-12(11)17-13;/h4-9,14,16,18H,10H2,1-3H3;1H2/t14-;/m0./s1
InChIKeyLPECVYCAMQOABH-UQKRIMTDSA-N
XLogP2.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-quinolin-2-ylpropyl)propan-2-amine
CID 170592923
(1S)-2-(tert-butylamino)-1-(8-fluoroquinolin-2-yl)ethanol;sulfane
CID 167620692
(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
CID 155154303
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol
CID 155154418
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155154323
(1S)-2-(tert-butylamino)-1-(5-methyl-2-pyridinyl)ethanol;sulfane
CID 157303923
3-amino-2,2-dimethyl-1-quinolin-2-ylpropan-1-ol
CID 79125016
4-methylsulfonyl-1-quinolin-2-ylbutan-1-ol
CID 55162729
2-(tert-butylamino)-1-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 155701455
(1R)-2-(tert-butylamino)-1-[6-(2-methylphenyl)-2-pyridinyl]ethanol
CID 155154266

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane?
The IUPAC name of (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane (CID 159416037) is (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane is CC(C)(C)NC[C@H](O)c1ccc2ccccc2n1.S.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane?
The InChIKey is LPECVYCAMQOABH-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H20N2O.H2S/c1-15(2,3)16-10-14(18)13-9-8-11-6-4-5-7-12(11)17-13;/h4-9,14,16,18H,10H2,1-3H3;1H2/t14-;/m0./s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane?
(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane has a molecular weight of 278.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane is sourced from PubChem (CID 159416037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).