N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine

C16H21NO2S2 — CID 64645998

IUPACN-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCCCc1ccc(C(CS(=O)(=O)c2cccs2)NC)cc1
InChIInChI=1S/C16H21NO2S2/c1-3-5-13-7-9-14(10-8-13)15(17-2)12-21(18,19)16-6-4-11-20-16/h4,6-11,15,17H,3,5,12H2,1-2H3
InChIKeyOKQWBWXPRBBVBK-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.43
Rot. Bonds7

About N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine

N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine (PubChem CID 64645998) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine
PubChem CID64645998
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC NameN-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCCCc1ccc(C(CS(=O)(=O)c2cccs2)NC)cc1
InChIInChI=1S/C16H21NO2S2/c1-3-5-13-7-9-14(10-8-13)15(17-2)12-21(18,19)16-6-4-11-20-16/h4,6-11,15,17H,3,5,12H2,1-2H3
InChIKeyOKQWBWXPRBBVBK-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
2-[2-(bromomethyl)pentylsulfonyl]thiophene
CID 65014082
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine (CID 64645998) is N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine is CCCc1ccc(C(CS(=O)(=O)c2cccs2)NC)cc1.
What is the InChIKey of N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is OKQWBWXPRBBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-3-5-13-7-9-14(10-8-13)15(17-2)12-21(18,19)16-6-4-11-20-16/h4,6-11,15,17H,3,5,12H2,1-2H3.
What are the key properties of N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine?
N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 323.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 64645998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).