N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine

C15H23N3S — CID 75484269

IUPACN-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine
SMILESCc1ccc(CNC2CCSC2)c(N2CCCC2)n1
InChIInChI=1S/C15H23N3S/c1-12-4-5-13(10-16-14-6-9-19-11-14)15(17-12)18-7-2-3-8-18/h4-5,14,16H,2-3,6-11H2,1H3
InChIKeyBTERJELCJMZLED-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.59
Rot. Bonds4

About N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine

N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine (PubChem CID 75484269) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine
PubChem CID75484269
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine
SMILESCc1ccc(CNC2CCSC2)c(N2CCCC2)n1
InChIInChI=1S/C15H23N3S/c1-12-4-5-13(10-16-14-6-9-19-11-14)15(17-12)18-7-2-3-8-18/h4-5,14,16H,2-3,6-11H2,1H3
InChIKeyBTERJELCJMZLED-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine (CID 75484269) is N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine is Cc1ccc(CNC2CCSC2)c(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine?
The InChIKey is BTERJELCJMZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-12-4-5-13(10-16-14-6-9-19-11-14)15(17-12)18-7-2-3-8-18/h4-5,14,16H,2-3,6-11H2,1H3.
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine?
N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine has a molecular weight of 277.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]thiolan-3-amine is sourced from PubChem (CID 75484269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).