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

C15H24N2O2S2 — CID 114414212

IUPACN-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(S(=O)(=O)N2CC=C(C)CC2)s1
InChIInChI=1S/C15H24N2O2S2/c1-3-9-16-10-6-14-4-5-15(20-14)21(18,19)17-11-7-13(2)8-12-17/h4-5,7,16H,3,6,8-12H2,1-2H3
InChIKeyLRYJWDNOBDFNPL-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.63
Rot. Bonds7

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

N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine (PubChem CID 114414212) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine
PubChem CID114414212
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(S(=O)(=O)N2CC=C(C)CC2)s1
InChIInChI=1S/C15H24N2O2S2/c1-3-9-16-10-6-14-4-5-15(20-14)21(18,19)17-11-7-13(2)8-12-17/h4-5,7,16H,3,6,8-12H2,1-2H3
InChIKeyLRYJWDNOBDFNPL-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[5-bromo-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine
CID 114414223
2-[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethanol
CID 114460980
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
CID 114414151
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
CID 114414087
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 114414158
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767025
N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 103466053
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
1-butylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 71263341
N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide
CID 60561135
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923
2-(2-methoxyethylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]acetamide
CID 119802253

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine (CID 114414212) is N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine is CCCNCCc1ccc(S(=O)(=O)N2CC=C(C)CC2)s1.
What is the InChIKey of N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine?
The InChIKey is LRYJWDNOBDFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-9-16-10-6-14-4-5-15(20-14)21(18,19)17-11-7-13(2)8-12-17/h4-5,7,16H,3,6,8-12H2,1-2H3.
What are the key properties of N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine?
N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine has a molecular weight of 328.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 114414212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).