(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane

C15H26N2OS — CID 158718801

IUPAC(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane
SMILESCC(C)(C)NC[C@H](O)c1cccc(C2CCC2)n1.S
InChIInChI=1S/C15H24N2O.H2S/c1-15(2,3)16-10-14(18)13-9-5-8-12(17-13)11-6-4-7-11;/h5,8-9,11,14,16,18H,4,6-7,10H2,1-3H3;1H2/t14-;/m0./s1
InChIKeyIJQPFKQWQPIVHB-UQKRIMTDSA-N
MW282.45 g/mol
LogP2.88
Rot. Bonds4

About (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane

(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane (PubChem CID 158718801) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane
PubChem CID158718801
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane
SMILESCC(C)(C)NC[C@H](O)c1cccc(C2CCC2)n1.S
InChIInChI=1S/C15H24N2O.H2S/c1-15(2,3)16-10-14(18)13-9-5-8-12(17-13)11-6-4-7-11;/h5,8-9,11,14,16,18H,4,6-7,10H2,1-3H3;1H2/t14-;/m0./s1
InChIKeyIJQPFKQWQPIVHB-UQKRIMTDSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Methylpyridin-2-yl)ethanol
CID 353138
(1S)-2-(tert-butylamino)-1-[4-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155154292
(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155154344
2-Methyl-1-(pyridin-2-yl)propan-1-ol
CID 15785876
1-Phenyl-2-[(pyridin-2-ylmethyl)amino]ethanol
CID 3920347
2-(Heptan-4-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 432281
6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-methylpyridin-3-ol
CID 12397274
2-(Butylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 54020553
2-(Butylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669383
2-(Pentan-3-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669384
Hydroxymuscopyridine A
CID 184938
Hydroxymuscopyridine B
CID 184939

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane (CID 158718801) is (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane is CC(C)(C)NC[C@H](O)c1cccc(C2CCC2)n1.S.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane?
The InChIKey is IJQPFKQWQPIVHB-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H24N2O.H2S/c1-15(2,3)16-10-14(18)13-9-5-8-12(17-13)11-6-4-7-11;/h5,8-9,11,14,16,18H,4,6-7,10H2,1-3H3;1H2/t14-;/m0./s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane?
(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane has a molecular weight of 282.45 g/mol, XLogP of 2.88, 4 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-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane is sourced from PubChem (CID 158718801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).