5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine

C14H22N2OS — CID 79950310

IUPAC5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
SMILESCC(C)Oc1ncccc1CNC1CSC(C)C1
InChIInChI=1S/C14H22N2OS/c1-10(2)17-14-12(5-4-6-15-14)8-16-13-7-11(3)18-9-13/h4-6,10-11,13,16H,7-9H2,1-3H3
InChIKeyDWXZYOHTJATOKM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.85
Rot. Bonds5

About 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine

5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine (PubChem CID 79950310) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
PubChem CID79950310
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
SMILESCC(C)Oc1ncccc1CNC1CSC(C)C1
InChIInChI=1S/C14H22N2OS/c1-10(2)17-14-12(5-4-6-15-14)8-16-13-7-11(3)18-9-13/h4-6,10-11,13,16H,7-9H2,1-3H3
InChIKeyDWXZYOHTJATOKM-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine?
The IUPAC name of 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine (CID 79950310) is 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine?
The canonical SMILES for 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine is CC(C)Oc1ncccc1CNC1CSC(C)C1.
What is the InChIKey of 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine?
The InChIKey is DWXZYOHTJATOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)17-14-12(5-4-6-15-14)8-16-13-7-11(3)18-9-13/h4-6,10-11,13,16H,7-9H2,1-3H3.
What are the key properties of 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine?
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine has a molecular weight of 266.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine is sourced from PubChem (CID 79950310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).