N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine

C14H24N2S — CID 102545114

IUPACN-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine
SMILESCc1cc(SC(C)(C)C)cnc1NC(C)(C)C
InChIInChI=1S/C14H24N2S/c1-10-8-11(17-14(5,6)7)9-15-12(10)16-13(2,3)4/h8-9H,1-7H3,(H,15,16)
InChIKeyPLECEJHHPYFYTL-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.49
Rot. Bonds2

About N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine

N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine (PubChem CID 102545114) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine
PubChem CID102545114
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine
SMILESCc1cc(SC(C)(C)C)cnc1NC(C)(C)C
InChIInChI=1S/C14H24N2S/c1-10-8-11(17-14(5,6)7)9-15-12(10)16-13(2,3)4/h8-9H,1-7H3,(H,15,16)
InChIKeyPLECEJHHPYFYTL-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Tert-butylthio)pyridin-2-amine hydrochloride
CID 6603337
1-(5-Methyl-2-pyridinyl)-2-propylguanidine;hydrochloride
CID 56837267
3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyridin-2-amine
CID 2968945
3-Methyl-5-(methylsulfanyl)pyridin-2-amine
CID 124706498
5-(Benzylsulfanyl)pyridin-2-amine
CID 28412332
N-{[4-(methylsulfanyl)phenyl]methyl}pyridin-2-amine
CID 3236190
5-t-Butylthio-2-aminopyridine
CID 658045
5-[(cyclopropylamino)methyl]-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 156287309
5-(Methylsulfanyl)pyridin-2-amine
CID 15179797
3-Tert-Butylsulfanyl-Pyridin-2-Ylamine
CID 17750171
N-ethyl-5-methylpyridin-2-amine
CID 29545136
3-(Methylthio)pyridin-2-amine
CID 45079767

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine?
The IUPAC name of N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine (CID 102545114) is N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine.
What is the SMILES notation for N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine?
The canonical SMILES for N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine is Cc1cc(SC(C)(C)C)cnc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine?
The InChIKey is PLECEJHHPYFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-8-11(17-14(5,6)7)9-15-12(10)16-13(2,3)4/h8-9H,1-7H3,(H,15,16).
What are the key properties of N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine?
N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine has a molecular weight of 252.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine is sourced from PubChem (CID 102545114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).