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

C14H27N3O2S — CID 106317129

IUPACN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1
InChIInChI=1S/C14H27N3O2S/c1-3-15-11-14-6-9-16(10-7-14)20(18,19)17-8-4-5-13(2)12-17/h5,14-15H,3-4,6-12H2,1-2H3
InChIKeySVCVURUIRMJRLO-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.20
Rot. Bonds5

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

N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 106317129) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
PubChem CID106317129
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)N2CCC=C(C)C2)CC1
InChIInChI=1S/C14H27N3O2S/c1-3-15-11-14-6-9-16(10-7-14)20(18,19)17-8-4-5-13(2)12-17/h5,14-15H,3-4,6-12H2,1-2H3
InChIKeySVCVURUIRMJRLO-UHFFFAOYSA-N
XLogP1.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.20
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]ethanamine 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

N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 106317204
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine
CID 106317240
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
CID 106315277
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonylmethyl]phenyl]methyl]ethanamine
CID 106317265
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
N-ethyl-2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]ethanamine
CID 106317140
5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119990661
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792

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]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine (CID 106317129) is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(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]ethanamine?
The InChIKey is SVCVURUIRMJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-3-15-11-14-6-9-16(10-7-14)20(18,19)17-8-4-5-13(2)12-17/h5,14-15H,3-4,6-12H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 1.20, 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]ethanamine is sourced from PubChem (CID 106317129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).