N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine

C15H17N3S — CID 66416209

IUPACN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1c[nH]c2ncccc12
InChIInChI=1S/C15H17N3S/c1-11(8-13-4-3-7-19-13)17-9-12-10-18-15-14(12)5-2-6-16-15/h2-7,10-11,17H,8-9H2,1H3,(H,16,18)
InChIKeyJASPARWZDNFGDE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.35
Rot. Bonds5

About N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine

N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 66416209) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
PubChem CID66416209
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1c[nH]c2ncccc12
InChIInChI=1S/C15H17N3S/c1-11(8-13-4-3-7-19-13)17-9-12-10-18-15-14(12)5-2-6-16-15/h2-7,10-11,17H,8-9H2,1H3,(H,16,18)
InChIKeyJASPARWZDNFGDE-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63850551
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 53144477
(1S)-1-(3-fluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81364743
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81381224
1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
CID 66413706
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine (CID 66416209) is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1c[nH]c2ncccc12.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is JASPARWZDNFGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11(8-13-4-3-7-19-13)17-9-12-10-18-15-14(12)5-2-6-16-15/h2-7,10-11,17H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 66416209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).