N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide

C15H18N2O3S — CID 94020775

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C15H18N2O3S/c1-10-2-3-12-7-14(17-13(12)6-10)15(18)16-8-11-4-5-21(19,20)9-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyLYQKDJOKCDNAEE-LLVKDONJSA-N
MW306.39 g/mol
LogP1.64
Rot. Bonds3

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 94020775) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID94020775
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C15H18N2O3S/c1-10-2-3-12-7-14(17-13(12)6-10)15(18)16-8-11-4-5-21(19,20)9-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyLYQKDJOKCDNAEE-LLVKDONJSA-N
XLogP1.64
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide
CID 94021081
5-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94006807
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 94020756
N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040333
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-1H-indole-2-carboxamide
CID 134002695
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 99960135
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 99960130
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (CID 94020775) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is LYQKDJOKCDNAEE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-2-3-12-7-14(17-13(12)6-10)15(18)16-8-11-4-5-21(19,20)9-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 94020775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).