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

C15H24N2O2S2 — CID 106317293

IUPACN-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(S(=O)(=O)N2CCC=C(C)C2)c(C)s1
InChIInChI=1S/C15H24N2O2S2/c1-4-7-16-10-14-9-15(13(3)20-14)21(18,19)17-8-5-6-12(2)11-17/h6,9,16H,4-5,7-8,10-11H2,1-3H3
InChIKeyWNOFQZARVKRQRJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.90
Rot. Bonds6

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

N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 106317293) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID106317293
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(S(=O)(=O)N2CCC=C(C)C2)c(C)s1
InChIInChI=1S/C15H24N2O2S2/c1-4-7-16-10-14-9-15(13(3)20-14)21(18,19)17-8-5-6-12(2)11-17/h6,9,16H,4-5,7-8,10-11H2,1-3H3
InChIKeyWNOFQZARVKRQRJ-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.90
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
N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 106317296
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026782
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
CID 106317132
1-[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317194
N-ethyl-2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]ethanamine
CID 106317140
N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106315326
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 106317127
1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216
N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
CID 106315322
[5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317121
[3,4-difluoro-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317273

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine (CID 106317293) is N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(S(=O)(=O)N2CCC=C(C)C2)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is WNOFQZARVKRQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-7-16-10-14-9-15(13(3)20-14)21(18,19)17-8-5-6-12(2)11-17/h6,9,16H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 328.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106317293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).