N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine

C15H30N2O3S — CID 63879288

IUPACN-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-20-11-9-16-12-14-6-5-10-17(13-14)21(18,19)15-7-3-2-4-8-15/h14-16H,2-13H2,1H3
InChIKeyYKBBFMGVDAFBOK-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.60
Rot. Bonds7

About N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine

N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine (PubChem CID 63879288) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
PubChem CID63879288
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-20-11-9-16-12-14-6-5-10-17(13-14)21(18,19)15-7-3-2-4-8-15/h14-16H,2-13H2,1H3
InChIKeyYKBBFMGVDAFBOK-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880331
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879120
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
1-(2-methoxyethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79622499
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-phenoxyethanamine
CID 79612346
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine (CID 63879288) is N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine is COCCNCC1CCCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is YKBBFMGVDAFBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-20-11-9-16-12-14-6-5-10-17(13-14)21(18,19)15-7-3-2-4-8-15/h14-16H,2-13H2,1H3.
What are the key properties of N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine?
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 318.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63879288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).