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

C15H29N3O2S — CID 106317240

IUPACN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC1=CCCN(S(=O)(=O)N2CCC(CNC(C)C)CC2)C1
InChIInChI=1S/C15H29N3O2S/c1-13(2)16-11-15-6-9-17(10-7-15)21(19,20)18-8-4-5-14(3)12-18/h5,13,15-16H,4,6-12H2,1-3H3
InChIKeyRVYVEIPSXKAYIO-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.59
Rot. Bonds5

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

N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 106317240) 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-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID106317240
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-2-amine
SMILESCC1=CCCN(S(=O)(=O)N2CCC(CNC(C)C)CC2)C1
InChIInChI=1S/C15H29N3O2S/c1-13(2)16-11-15-6-9-17(10-7-15)21(19,20)18-8-4-5-14(3)12-18/h5,13,15-16H,4,6-12H2,1-3H3
InChIKeyRVYVEIPSXKAYIO-UHFFFAOYSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine
CID 114491031
1-Piperidin-4-ylprop-2-en-1-amine;sulfamide
CID 69637802
N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)piperidine-1-sulfonamide
CID 175234558
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35295593
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35295600
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 47025150
N-ethyl-N-methyl-N'-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)sulfamide
CID 56757093
4-[(propan-2-ylamino)methyl]-N,N-bis(prop-2-enyl)piperidine-1-sulfonamide
CID 65733790
N-ethyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 65775907
4-[[[Ethyl(methyl)sulfamoyl]amino]methyl]-1-(2-methylpent-2-enyl)piperidine
CID 72072068
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpiperidine-1-sulfonamide
CID 81819582
N-ethyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpiperidine-1-sulfonamide
CID 81819998

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-2-amine?
The IUPAC name of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine (CID 106317240) is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine is CC1=CCCN(S(=O)(=O)N2CCC(CNC(C)C)CC2)C1.
What is the InChIKey of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is RVYVEIPSXKAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-13(2)16-11-15-6-9-17(10-7-15)21(19,20)18-8-4-5-14(3)12-18/h5,13,15-16H,4,6-12H2,1-3H3.
What are the key properties of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 315.48 g/mol, XLogP of 1.59, 5 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-2-amine is sourced from PubChem (CID 106317240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).