N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide

C21H23N3OS — CID 175846986

IUPACN-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1cccs1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C21H23N3OS/c25-21(15-4-3-14-7-8-22-20(14)10-15)23-16-11-17-5-6-18(12-16)24(17)13-19-2-1-9-26-19/h1-4,7-10,16-18,22H,5-6,11-13H2,(H,23,25)/t16?,17-,18+
InChIKeyQADPEYMPVTVQJU-AYHJJNSGSA-N
MW365.50 g/mol
LogP4.15
Rot. Bonds4

About N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide

N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide (PubChem CID 175846986) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide
PubChem CID175846986
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1cccs1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C21H23N3OS/c25-21(15-4-3-14-7-8-22-20(14)10-15)23-16-11-17-5-6-18(12-16)24(17)13-19-2-1-9-26-19/h1-4,7-10,16-18,22H,5-6,11-13H2,(H,23,25)/t16?,17-,18+
InChIKeyQADPEYMPVTVQJU-AYHJJNSGSA-N
XLogP4.15
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide (CID 175846986) is N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1cccs1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide?
The InChIKey is QADPEYMPVTVQJU-AYHJJNSGSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-21(15-4-3-14-7-8-22-20(14)10-15)23-16-11-17-5-6-18(12-16)24(17)13-19-2-1-9-26-19/h1-4,7-10,16-18,22H,5-6,11-13H2,(H,23,25)/t16?,17-,18+.
What are the key properties of N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide?
N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 175846986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).