5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine

C14H22N2S — CID 114011625

IUPAC5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCC2CCSC2)nc1
InChIInChI=1S/C14H22N2S/c1-14(2,3)12-4-5-13(16-9-12)15-8-11-6-7-17-10-11/h4-5,9,11H,6-8,10H2,1-3H3,(H,15,16)
InChIKeyJRCPXYCYVHLUNW-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.54
Rot. Bonds3

About 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine

5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine (PubChem CID 114011625) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
PubChem CID114011625
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCC2CCSC2)nc1
InChIInChI=1S/C14H22N2S/c1-14(2,3)12-4-5-13(16-9-12)15-8-11-6-7-17-10-11/h4-5,9,11H,6-8,10H2,1-3H3,(H,15,16)
InChIKeyJRCPXYCYVHLUNW-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
[2-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 107874762
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 114011649
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
methyl 2-methyl-6-(thiolan-3-ylmethylamino)pyridine-3-carboxylate
CID 107296781
6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 107131447

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine (CID 114011625) is 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine is CC(C)(C)c1ccc(NCC2CCSC2)nc1.
What is the InChIKey of 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is JRCPXYCYVHLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(2,3)12-4-5-13(16-9-12)15-8-11-6-7-17-10-11/h4-5,9,11H,6-8,10H2,1-3H3,(H,15,16).
What are the key properties of 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine?
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine has a molecular weight of 250.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114011625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).