(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine

C13H21N3S — CID 114237247

IUPAC(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
SMILESCSC1CCN(c2ccc([C@H](C)N)cn2)CC1
InChIInChI=1S/C13H21N3S/c1-10(14)11-3-4-13(15-9-11)16-7-5-12(17-2)6-8-16/h3-4,9-10,12H,5-8,14H2,1-2H3/t10-/m0/s1
InChIKeyUVPKQAJCPZQUMA-JTQLQIEISA-N
MW251.40 g/mol
LogP2.43
Rot. Bonds3

About (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine

(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 114237247) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
PubChem CID114237247
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
SMILESCSC1CCN(c2ccc([C@H](C)N)cn2)CC1
InChIInChI=1S/C13H21N3S/c1-10(14)11-3-4-13(15-9-11)16-7-5-12(17-2)6-8-16/h3-4,9-10,12H,5-8,14H2,1-2H3/t10-/m0/s1
InChIKeyUVPKQAJCPZQUMA-JTQLQIEISA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
1-[2-(4-methylsulfanylazepan-1-yl)-4-pyridinyl]ethanamine
CID 114237251
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102958961
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
6-(4-methylsulfanylazepan-1-yl)pyridine-3-carboxylic acid
CID 114237506
1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]ethanamine
CID 102744252
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine (CID 114237247) is (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine is CSC1CCN(c2ccc([C@H](C)N)cn2)CC1.
What is the InChIKey of (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is UVPKQAJCPZQUMA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(14)11-3-4-13(15-9-11)16-7-5-12(17-2)6-8-16/h3-4,9-10,12H,5-8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine?
(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 251.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114237247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).