N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine

C14H23N3O2S — CID 63879976

IUPACN-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-7-15-10-13-5-4-9-17(12-13)20(18,19)14-6-3-8-16-11-14/h3,6,8,11,13,15H,2,4-5,7,9-10,12H2,1H3
InChIKeyOUVATCPVLSGMNO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.48
Rot. Bonds6

About N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine

N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 63879976) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID63879976
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-7-15-10-13-5-4-9-17(12-13)20(18,19)14-6-3-8-16-11-14/h3,6,8,11,13,15H,2,4-5,7,9-10,12H2,1H3
InChIKeyOUVATCPVLSGMNO-UHFFFAOYSA-N
XLogP1.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide
CID 131907215
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63878413
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63854203
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine (CID 63879976) is N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine is CCCNCC1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is OUVATCPVLSGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-7-15-10-13-5-4-9-17(12-13)20(18,19)14-6-3-8-16-11-14/h3,6,8,11,13,15H,2,4-5,7,9-10,12H2,1H3.
What are the key properties of N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine?
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63879976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).