5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide

C14H17N3OS — CID 107294763

IUPAC5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCC3CCSC3)cc2c1
InChIInChI=1S/C14H17N3OS/c15-11-1-2-12-10(5-11)6-13(17-12)14(18)16-7-9-3-4-19-8-9/h1-2,5-6,9,17H,3-4,7-8,15H2,(H,16,18)
InChIKeyGPMMCHVDUCGWLP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.23
Rot. Bonds3

About 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide

5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 107294763) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID107294763
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCC3CCSC3)cc2c1
InChIInChI=1S/C14H17N3OS/c15-11-1-2-12-10(5-11)6-13(17-12)14(18)16-7-9-3-4-19-8-9/h1-2,5-6,9,17H,3-4,7-8,15H2,(H,16,18)
InChIKeyGPMMCHVDUCGWLP-UHFFFAOYSA-N
XLogP2.23
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
CID 146104826
5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 63118425
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate
CID 107363338
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide (CID 107294763) is 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NCC3CCSC3)cc2c1.
What is the InChIKey of 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is GPMMCHVDUCGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-11-1-2-12-10(5-11)6-13(17-12)14(18)16-7-9-3-4-19-8-9/h1-2,5-6,9,17H,3-4,7-8,15H2,(H,16,18).
What are the key properties of 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide?
5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 107294763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).