N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine

C13H23N3O2S2 — CID 80728900

IUPACN-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN2CCN(S(C)(=O)=O)CC2)c(C)s1
InChIInChI=1S/C13H23N3O2S2/c1-11-12(8-13(19-11)9-14-2)10-15-4-6-16(7-5-15)20(3,17)18/h8,14H,4-7,9-10H2,1-3H3
InChIKeyFWGGRRATOICFCK-UHFFFAOYSA-N
MW317.48 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 80728900) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID80728900
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN2CCN(S(C)(=O)=O)CC2)c(C)s1
InChIInChI=1S/C13H23N3O2S2/c1-11-12(8-13(19-11)9-14-2)10-15-4-6-16(7-5-15)20(3,17)18/h8,14H,4-7,9-10H2,1-3H3
InChIKeyFWGGRRATOICFCK-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine 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-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63004193
N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80728999
N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727670
1-[4-[(4,4-dimethylazepan-1-yl)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728998
N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728289
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728262
2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80728263
1-[(5-tert-butyl-2-methylfuran-3-yl)methyl]-4-methylsulfonylpiperazine
CID 138022424
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
1-[4-[(4-iodopyrazol-1-yl)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729686

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine (CID 80728900) is N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine is CNCc1cc(CN2CCN(S(C)(=O)=O)CC2)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is FWGGRRATOICFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-11-12(8-13(19-11)9-14-2)10-15-4-6-16(7-5-15)20(3,17)18/h8,14H,4-7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 317.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80728900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).