[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine

C13H21N3O2S2 — CID 114598405

IUPAC[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H21N3O2S2/c1-19-13(10-14)5-8-16(9-6-13)12-11(20(2,17)18)4-3-7-15-12/h3-4,7H,5-6,8-10,14H2,1-2H3
InChIKeyRXBOIHKXMHFOFS-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.15
Rot. Bonds4

About [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine

[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine (PubChem CID 114598405) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine
PubChem CID114598405
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C13H21N3O2S2/c1-19-13(10-14)5-8-16(9-6-13)12-11(20(2,17)18)4-3-7-15-12/h3-4,7H,5-6,8-10,14H2,1-2H3
InChIKeyRXBOIHKXMHFOFS-UHFFFAOYSA-N
XLogP1.15
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine with MolForge

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Related Compounds

1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649458
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
2-(bromomethyl)-4-(3-methylsulfonyl-2-pyridinyl)morpholine
CID 114599993
4-[4-(aminomethyl)-4-methylsulfanylpiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137015987
2-methyl-2-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 114598422
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 79712747
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507
1-(3-methylsulfonyl-2-pyridinyl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine
CID 20763833

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine (CID 114598405) is [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine is CSC1(CN)CCN(c2ncccc2S(C)(=O)=O)CC1.
What is the InChIKey of [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine?
The InChIKey is RXBOIHKXMHFOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-19-13(10-14)5-8-16(9-6-13)12-11(20(2,17)18)4-3-7-15-12/h3-4,7H,5-6,8-10,14H2,1-2H3.
What are the key properties of [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine?
[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine has a molecular weight of 315.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 114598405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).