N-pyridin-3-ylsulfanylpropan-2-amine

C8H12N2S — CID 145049132

IUPACN-pyridin-3-ylsulfanylpropan-2-amine
SMILESCC(C)NSc1cccnc1
InChIInChI=1S/C8H12N2S/c1-7(2)10-11-8-4-3-5-9-6-8/h3-7,10H,1-2H3
InChIKeyUZLGIWXMGFOBND-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.09
Rot. Bonds3

About N-pyridin-3-ylsulfanylpropan-2-amine

N-pyridin-3-ylsulfanylpropan-2-amine (PubChem CID 145049132) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is N-pyridin-3-ylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-pyridin-3-ylsulfanylpropan-2-amine
PubChem CID145049132
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC NameN-pyridin-3-ylsulfanylpropan-2-amine
SMILESCC(C)NSc1cccnc1
InChIInChI=1S/C8H12N2S/c1-7(2)10-11-8-4-3-5-9-6-8/h3-7,10H,1-2H3
InChIKeyUZLGIWXMGFOBND-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-1-ylsulfanyl)pyridine;ethane
CID 171795353
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
acetic acid;3-(2-methylpropylsulfanyl)pyridine
CID 174761350
CID 58169618
CID 58169618
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2-methyl-N-(2-methylsulfanylpropyl)-1-pyridin-3-ylpropan-1-amine
CID 115898744
[phosphono(pyridin-3-ylsulfanyl)methyl]phosphonic acid
CID 15170606
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-propan-2-ylpyridine-3-carbothioamide
CID 10241412
1,1-bis(methylsulfanyl)-N-pyridin-3-ylsulfanylmethanimine
CID 169235462
S-pyridin-3-yl propanethioate
CID 56621142

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylsulfanylpropan-2-amine?
The IUPAC name of N-pyridin-3-ylsulfanylpropan-2-amine (CID 145049132) is N-pyridin-3-ylsulfanylpropan-2-amine.
What is the SMILES notation for N-pyridin-3-ylsulfanylpropan-2-amine?
The canonical SMILES for N-pyridin-3-ylsulfanylpropan-2-amine is CC(C)NSc1cccnc1.
What is the InChIKey of N-pyridin-3-ylsulfanylpropan-2-amine?
The InChIKey is UZLGIWXMGFOBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-7(2)10-11-8-4-3-5-9-6-8/h3-7,10H,1-2H3.
What are the key properties of N-pyridin-3-ylsulfanylpropan-2-amine?
N-pyridin-3-ylsulfanylpropan-2-amine has a molecular weight of 168.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylsulfanylpropan-2-amine is sourced from PubChem (CID 145049132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).