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

C15H29N3O2S — CID 106317128

IUPACN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1
InChIInChI=1S/C15H29N3O2S/c1-3-8-16-12-15-6-10-17(11-7-15)21(19,20)18-9-4-5-14(2)13-18/h5,15-16H,3-4,6-13H2,1-2H3
InChIKeyYOHOOKKOQZECLN-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.59
Rot. Bonds6

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

N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine (PubChem CID 106317128) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
PubChem CID106317128
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1
InChIInChI=1S/C15H29N3O2S/c1-3-8-16-12-15-6-10-17(11-7-15)21(19,20)18-9-4-5-14(2)13-18/h5,15-16H,3-4,6-13H2,1-2H3
InChIKeyYOHOOKKOQZECLN-UHFFFAOYSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine (CID 106317128) is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1.
What is the InChIKey of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is YOHOOKKOQZECLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-3-8-16-12-15-6-10-17(11-7-15)21(19,20)18-9-4-5-14(2)13-18/h5,15-16H,3-4,6-13H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine?
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 315.48 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106317128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).