N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine

C13H20N2OS — CID 62576890

IUPACN-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine
SMILESCC(CNCC1CCCO1)Sc1ccccn1
InChIInChI=1S/C13H20N2OS/c1-11(17-13-6-2-3-7-15-13)9-14-10-12-5-4-8-16-12/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3
InChIKeyFPYHTEUNUMSQGB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.33
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine

N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine (PubChem CID 62576890) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine
PubChem CID62576890
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine
SMILESCC(CNCC1CCCO1)Sc1ccccn1
InChIInChI=1S/C13H20N2OS/c1-11(17-13-6-2-3-7-15-13)9-14-10-12-5-4-8-16-12/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3
InChIKeyFPYHTEUNUMSQGB-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine (CID 62576890) is N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine is CC(CNCC1CCCO1)Sc1ccccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine?
The InChIKey is FPYHTEUNUMSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(17-13-6-2-3-7-15-13)9-14-10-12-5-4-8-16-12/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine?
N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine has a molecular weight of 252.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyridin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 62576890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).