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

C15H27N3OS — CID 158367640

IUPAC(1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane
SMILESCC(C)(C)NC[C@H](O)c1cccc(N2CCCC2)n1.S
InChIInChI=1S/C15H25N3O.H2S/c1-15(2,3)16-11-13(19)12-7-6-8-14(17-12)18-9-4-5-10-18;/h6-8,13,16,19H,4-5,9-11H2,1-3H3;1H2/t13-;/m0./s1
InChIKeyGUFMFWPXVAYFTO-ZOWNYOTGSA-N
MW297.47 g/mol
LogP2.22
Rot. Bonds4

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

(1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane (PubChem CID 158367640) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane
PubChem CID158367640
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name(1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane
SMILESCC(C)(C)NC[C@H](O)c1cccc(N2CCCC2)n1.S
InChIInChI=1S/C15H25N3O.H2S/c1-15(2,3)16-11-13(19)12-7-6-8-14(17-12)18-9-4-5-10-18;/h6-8,13,16,19H,4-5,9-11H2,1-3H3;1H2/t13-;/m0./s1
InChIKeyGUFMFWPXVAYFTO-ZOWNYOTGSA-N
XLogP2.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(6-morpholin-4-yl-2-pyridinyl)ethanol
CID 170592933
(1R)-2-(tert-butylamino)-1-(6-morpholin-4-yl-2-pyridinyl)ethanol
CID 155154273
(1S)-2-(tert-butylamino)-1-(6-cyclobutyl-2-pyridinyl)ethanol;sulfane
CID 158718801
(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
CID 155154303
(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155162177
(1S)-2-(tert-butylamino)-1-[6-(methylamino)-2-pyridinyl]ethanol
CID 155154418
N-methylmethanamine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 164926851
2-methyl-N-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]propan-2-amine
CID 155163774
(1S)-2-(tert-butylamino)-1-[6-(trideuteriomethylamino)-2-pyridinyl]ethanol
CID 155620556
(1S)-2-(tert-butylamino)-1-quinolin-2-ylethanol;sulfane
CID 159416037
6-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-N-methylpyridine-2-carboxamide
CID 155154232
(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155154323

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane (CID 158367640) is (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane is CC(C)(C)NC[C@H](O)c1cccc(N2CCCC2)n1.S.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane?
The InChIKey is GUFMFWPXVAYFTO-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H25N3O.H2S/c1-15(2,3)16-11-13(19)12-7-6-8-14(17-12)18-9-4-5-10-18;/h6-8,13,16,19H,4-5,9-11H2,1-3H3;1H2/t13-;/m0./s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane?
(1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane has a molecular weight of 297.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol;sulfane is sourced from PubChem (CID 158367640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).