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

C11H22N2O2S — CID 114414310

IUPACN-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H22N2O2S/c1-3-6-12-7-10-16(14,15)13-8-4-11(2)5-9-13/h4,12H,3,5-10H2,1-2H3
InChIKeyKCLNMKCKDMEIJC-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.97
Rot. Bonds6

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

N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine (PubChem CID 114414310) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
PubChem CID114414310
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H22N2O2S/c1-3-6-12-7-10-16(14,15)13-8-4-11(2)5-9-13/h4,12H,3,5-10H2,1-2H3
InChIKeyKCLNMKCKDMEIJC-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.97
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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Related Compounds

1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 71263341
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanol
CID 114411516
N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine
CID 114414212
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
CID 114414040
N-[[5-bromo-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine
CID 114414223
4-methyl-1-[3-(trifluoromethylsulfonyl)propylsulfonyl]-3,6-dihydro-2H-pyridine
CID 136559716
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
CID 114413146
1-cyclopropylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine;ethane
CID 144802262
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
CID 113419411
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
CID 102746509
1-ethylsulfonyl-3-methyl-2,5-dihydropyrrole
CID 153379905

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine (CID 114414310) is N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine is CCCNCCS(=O)(=O)N1CC=C(C)CC1.
What is the InChIKey of N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine?
The InChIKey is KCLNMKCKDMEIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-6-12-7-10-16(14,15)13-8-4-11(2)5-9-13/h4,12H,3,5-10H2,1-2H3.
What are the key properties of N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine?
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine is sourced from PubChem (CID 114414310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).