ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen

C23H33N3S — CID 143559877

IUPACethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen
SMILESC=C(Nc1ccc2c(ccn2CCC2CCCN2C)c1)c1cccs1.CC.[H][H]
InChIInChI=1S/C21H25N3S.C2H6.H2/c1-16(21-6-4-14-25-21)22-18-7-8-20-17(15-18)9-12-24(20)13-10-19-5-3-11-23(19)2;1-2;/h4,6-9,12,14-15,19,22H,1,3,5,10-11,13H2,2H3;1-2H3;1H
InChIKeyDJFIQWHRUFOQOX-UHFFFAOYSA-N
MW383.61 g/mol
LogP6.54
Rot. Bonds6

About ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen

ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen (PubChem CID 143559877) has the molecular formula C23H33N3S and a molecular weight of 383.61 g/mol. Its IUPAC name is ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen
PubChem CID143559877
Molecular FormulaC23H33N3S
Molecular Weight383.61 g/mol
Exact Mass383.24
IUPAC Nameethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen
SMILESC=C(Nc1ccc2c(ccn2CCC2CCCN2C)c1)c1cccs1.CC.[H][H]
InChIInChI=1S/C21H25N3S.C2H6.H2/c1-16(21-6-4-14-25-21)22-18-7-8-20-17(15-18)9-12-24(20)13-10-19-5-3-11-23(19)2;1-2;/h4,6-9,12,14-15,19,22H,1,3,5,10-11,13H2,2H3;1-2H3;1H
InChIKeyDJFIQWHRUFOQOX-UHFFFAOYSA-N
XLogP6.54
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24759031
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
N-(1-ethylindol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47083781
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]-2,3-dihydrothiophene-2-carboximidamide
CID 89329594
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]furan-2-carboximidamide;dihydrochloride
CID 90664704
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
N-(1-ethylindol-5-yl)-2-thiophen-2-ylacetamide
CID 47083789
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen?
The IUPAC name of ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen (CID 143559877) is ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen.
What is the SMILES notation for ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen?
The canonical SMILES for ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen is C=C(Nc1ccc2c(ccn2CCC2CCCN2C)c1)c1cccs1.CC.[H][H].
What is the InChIKey of ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen?
The InChIKey is DJFIQWHRUFOQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3S.C2H6.H2/c1-16(21-6-4-14-25-21)22-18-7-8-20-17(15-18)9-12-24(20)13-10-19-5-3-11-23(19)2;1-2;/h4,6-9,12,14-15,19,22H,1,3,5,10-11,13H2,2H3;1-2H3;1H.
What are the key properties of ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen?
ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen has a molecular weight of 383.61 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen is sourced from PubChem (CID 143559877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).