N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine

C15H25N3O2S — CID 114599581

IUPACN-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C15H25N3O2S/c1-3-8-16-11-13-6-5-10-18(12-13)15-14(21(2,19)20)7-4-9-17-15/h4,7,9,13,16H,3,5-6,8,10-12H2,1-2H3
InChIKeyKCJYAORFOBYFBE-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.70
Rot. Bonds6

About N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine

N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 114599581) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID114599581
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C15H25N3O2S/c1-3-8-16-11-13-6-5-10-18(12-13)15-14(21(2,19)20)7-4-9-17-15/h4,7,9,13,16H,3,5-6,8,10-12H2,1-2H3
InChIKeyKCJYAORFOBYFBE-UHFFFAOYSA-N
XLogP1.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
CID 114598203
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 114599597
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
CID 39834364
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62586883
2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 114599572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine (CID 114599581) is N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(c2ncccc2S(C)(=O)=O)C1.
What is the InChIKey of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is KCJYAORFOBYFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-8-16-11-13-6-5-10-18(12-13)15-14(21(2,19)20)7-4-9-17-15/h4,7,9,13,16H,3,5-6,8,10-12H2,1-2H3.
What are the key properties of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine?
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114599581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).