1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine

C22H29N3O2S2 — CID 141164135

IUPAC1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3ccc(-c4csc(CN(C)C)c4)cc23)CC1
InChIInChI=1S/C22H29N3O2S2/c1-4-29(26,27)25-9-7-16(8-10-25)21-13-23-22-6-5-17(12-20(21)22)18-11-19(28-15-18)14-24(2)3/h5-6,11-13,15-16,23H,4,7-10,14H2,1-3H3
InChIKeyRQTXXBJHPYWTGL-UHFFFAOYSA-N
MW431.63 g/mol
LogP4.49
Rot. Bonds6

About 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine

1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine (PubChem CID 141164135) has the molecular formula C22H29N3O2S2 and a molecular weight of 431.63 g/mol. Its IUPAC name is 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
PubChem CID141164135
Molecular FormulaC22H29N3O2S2
Molecular Weight431.63 g/mol
Exact Mass431.17
IUPAC Name1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3ccc(-c4csc(CN(C)C)c4)cc23)CC1
InChIInChI=1S/C22H29N3O2S2/c1-4-29(26,27)25-9-7-16(8-10-25)21-13-23-22-6-5-17(12-20(21)22)18-11-19(28-15-18)14-24(2)3/h5-6,11-13,15-16,23H,4,7-10,14H2,1-3H3
InChIKeyRQTXXBJHPYWTGL-UHFFFAOYSA-N
XLogP4.49
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
CID 141164179
1-[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-3-yl]-N-methylmethanamine
CID 141164155
3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-indole
CID 141164181
N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine
CID 141164136
N-[[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]methyl]butan-1-amine
CID 141164204
5-(4-methylphenyl)-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 141141081
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide
CID 141164185
5-[5-[[benzyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66723529
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]hexanamide
CID 141164206
N-[3-[4-[5-(4-ethylphenyl)-1H-indol-3-yl]piperidin-1-yl]sulfonylpropyl]cyclopentanamine
CID 141141031
3-(1-ethylsulfonylpiperidin-4-yl)-5-[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophen-3-yl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66722835
5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42628905

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine (CID 141164135) is 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine is CCS(=O)(=O)N1CCC(c2c[nH]c3ccc(-c4csc(CN(C)C)c4)cc23)CC1.
What is the InChIKey of 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is RQTXXBJHPYWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S2/c1-4-29(26,27)25-9-7-16(8-10-25)21-13-23-22-6-5-17(12-20(21)22)18-11-19(28-15-18)14-24(2)3/h5-6,11-13,15-16,23H,4,7-10,14H2,1-3H3.
What are the key properties of 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine?
1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 431.63 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 141164135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).