N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide

C16H20N2OS — CID 43582046

IUPACN,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)C3CCSC3)cc2c1C
InChIInChI=1S/C16H20N2OS/c1-10-11(2)17-15-5-4-12(8-14(10)15)16(19)18(3)13-6-7-20-9-13/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyGAKFZKNAQUJSAM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.36
Rot. Bonds2

About N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide

N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide (PubChem CID 43582046) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
PubChem CID43582046
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)C3CCSC3)cc2c1C
InChIInChI=1S/C16H20N2OS/c1-10-11(2)17-15-5-4-12(8-14(10)15)16(19)18(3)13-6-7-20-9-13/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyGAKFZKNAQUJSAM-UHFFFAOYSA-N
XLogP3.36
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
CID 63641936
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
CID 63212671
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 102684977
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
CID 55137571
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide (CID 43582046) is N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)C3CCSC3)cc2c1C.
What is the InChIKey of N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide?
The InChIKey is GAKFZKNAQUJSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-11(2)17-15-5-4-12(8-14(10)15)16(19)18(3)13-6-7-20-9-13/h4-5,8,13,17H,6-7,9H2,1-3H3.
What are the key properties of N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide?
N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 43582046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).