1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine

C14H25N3O2S2 — CID 102753806

IUPAC1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCCN1CCN(S(=O)(=O)c2c(C)csc2CNC)CC1C
InChIInChI=1S/C14H25N3O2S2/c1-5-16-6-7-17(9-12(16)3)21(18,19)14-11(2)10-20-13(14)8-15-4/h10,12,15H,5-9H2,1-4H3
InChIKeyNMIGHICCHHMLIB-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.49
Rot. Bonds5

About 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine

1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 102753806) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID102753806
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCCN1CCN(S(=O)(=O)c2c(C)csc2CNC)CC1C
InChIInChI=1S/C14H25N3O2S2/c1-5-16-6-7-17(9-12(16)3)21(18,19)14-11(2)10-20-13(14)8-15-4/h10,12,15H,5-9H2,1-4H3
InChIKeyNMIGHICCHHMLIB-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
N-[[4-methyl-3-(2-methylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754929
1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
CID 107327150
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102750926
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102754268
N-[[4-methyl-3-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750920
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine (CID 102753806) is 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine is CCN1CCN(S(=O)(=O)c2c(C)csc2CNC)CC1C.
What is the InChIKey of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is NMIGHICCHHMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-5-16-6-7-17(9-12(16)3)21(18,19)14-11(2)10-20-13(14)8-15-4/h10,12,15H,5-9H2,1-4H3.
What are the key properties of 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine?
1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 331.51 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).