1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide

C12H17N3OS — CID 79654317

IUPAC1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Sc2ccccn2)C1
InChIInChI=1S/C12H17N3OS/c1-14-12(11(13)16)6-5-9(8-12)17-10-4-2-3-7-15-10/h2-4,7,9,14H,5-6,8H2,1H3,(H2,13,16)
InChIKeyGDMBWVMZQYQWLN-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.17
Rot. Bonds4

About 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide

1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide (PubChem CID 79654317) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
PubChem CID79654317
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Sc2ccccn2)C1
InChIInChI=1S/C12H17N3OS/c1-14-12(11(13)16)6-5-9(8-12)17-10-4-2-3-7-15-10/h2-4,7,9,14H,5-6,8H2,1H3,(H2,13,16)
InChIKeyGDMBWVMZQYQWLN-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide (CID 79654317) is 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Sc2ccccn2)C1.
What is the InChIKey of 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide?
The InChIKey is GDMBWVMZQYQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-14-12(11(13)16)6-5-9(8-12)17-10-4-2-3-7-15-10/h2-4,7,9,14H,5-6,8H2,1H3,(H2,13,16).
What are the key properties of 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide?
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide has a molecular weight of 251.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79654317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).