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

C9H18N2O2S — CID 106315322

IUPACN-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
SMILESCNCCS(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C9H18N2O2S/c1-9-4-3-6-11(8-9)14(12,13)7-5-10-2/h4,10H,3,5-8H2,1-2H3
InChIKeyBYYGPZHEKLRSIR-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.19
Rot. Bonds4

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

N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine (PubChem CID 106315322) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
PubChem CID106315322
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
SMILESCNCCS(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C9H18N2O2S/c1-9-4-3-6-11(8-9)14(12,13)7-5-10-2/h4,10H,3,5-8H2,1-2H3
InChIKeyBYYGPZHEKLRSIR-UHFFFAOYSA-N
XLogP0.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonylmethyl]phenyl]methyl]ethanamine
CID 106317265
N-methyl-2-morpholin-4-ylsulfonylethanamine
CID 59686763
1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216
1-[2-fluoro-3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317115
N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonylmethyl]phenyl]methyl]ethanamine
CID 106317290
1-[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317194
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
CID 106315277
N-ethyl-2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]ethanamine
CID 106317140
N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 106316730
N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 106317296
1-ethylsulfonyl-3-methyl-2,5-dihydropyrrole
CID 153379905
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 106317129

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine?
The IUPAC name of N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine (CID 106315322) is N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine?
The canonical SMILES for N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine is CNCCS(=O)(=O)N1CCC=C(C)C1.
What is the InChIKey of N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine?
The InChIKey is BYYGPZHEKLRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9-4-3-6-11(8-9)14(12,13)7-5-10-2/h4,10H,3,5-8H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine?
N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine has a molecular weight of 218.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine is sourced from PubChem (CID 106315322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).