N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide

C17H24N2O3S — CID 97226464

IUPACN-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
SMILESCc1ccc2c(CCNS(=O)(=O)CC[C@@H]3CCCO3)c[nH]c2c1
InChIInChI=1S/C17H24N2O3S/c1-13-4-5-16-14(12-18-17(16)11-13)6-8-19-23(20,21)10-7-15-3-2-9-22-15/h4-5,11-12,15,18-19H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyMILUOJMPSQWBKH-HNNXBMFYSA-N
MW336.46 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide

N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide (PubChem CID 97226464) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
PubChem CID97226464
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
SMILESCc1ccc2c(CCNS(=O)(=O)CC[C@@H]3CCCO3)c[nH]c2c1
InChIInChI=1S/C17H24N2O3S/c1-13-4-5-16-14(12-18-17(16)11-13)6-8-19-23(20,21)10-7-15-3-2-9-22-15/h4-5,11-12,15,18-19H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyMILUOJMPSQWBKH-HNNXBMFYSA-N
XLogP2.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71918656
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408628
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 97231176
N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 84587801
(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7248046
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
N-ethyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450335
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide (CID 97226464) is N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide is Cc1ccc2c(CCNS(=O)(=O)CC[C@@H]3CCCO3)c[nH]c2c1.
What is the InChIKey of N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
The InChIKey is MILUOJMPSQWBKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-4-5-16-14(12-18-17(16)11-13)6-8-19-23(20,21)10-7-15-3-2-9-22-15/h4-5,11-12,15,18-19H,2-3,6-10H2,1H3/t15-/m0/s1.
What are the key properties of N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 97226464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).