3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol

C14H24N2OS — CID 106159122

IUPAC3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H24N2OS/c1-10(12(9-17)18-5)16-13-7-6-11(8-15-13)14(2,3)4/h6-8,10,12,17H,9H2,1-5H3,(H,15,16)
InChIKeyFIRQOBDBFGMLRF-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.90
Rot. Bonds5

About 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol

3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106159122) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106159122
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H24N2OS/c1-10(12(9-17)18-5)16-13-7-6-11(8-15-13)14(2,3)4/h6-8,10,12,17H,9H2,1-5H3,(H,15,16)
InChIKeyFIRQOBDBFGMLRF-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methoxy-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 104696818
5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
CID 107875628
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
3-[(6-aminopyridazin-3-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162990
2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163426
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
CID 106155064
3-[1-(4-tert-butylphenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103717083
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 107874683
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
CID 107875701
6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpyridine-3-carboxylic acid
CID 106161963
5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
CID 107875581
ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011564

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol (CID 106159122) is 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is FIRQOBDBFGMLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(12(9-17)18-5)16-13-7-6-11(8-15-13)14(2,3)4/h6-8,10,12,17H,9H2,1-5H3,(H,15,16).
What are the key properties of 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106159122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).