N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine

C13H25N3O2S — CID 106317104

IUPACN-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1
InChIInChI=1S/C13H25N3O2S/c1-12-4-3-7-16(11-12)19(17,18)15-8-5-13(6-9-15)10-14-2/h4,13-14H,3,5-11H2,1-2H3
InChIKeyQUDHIOINZSUWKV-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine

N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine (PubChem CID 106317104) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine
PubChem CID106317104
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1
InChIInChI=1S/C13H25N3O2S/c1-12-4-3-7-16(11-12)19(17,18)15-8-5-13(6-9-15)10-14-2/h4,13-14H,3,5-11H2,1-2H3
InChIKeyQUDHIOINZSUWKV-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine (CID 106317104) is N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine is CNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine?
The InChIKey is QUDHIOINZSUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12-4-3-7-16(11-12)19(17,18)15-8-5-13(6-9-15)10-14-2/h4,13-14H,3,5-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 106317104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).