(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

C17H25N3O3S — CID 52527539

IUPAC(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2c1C
InChIInChI=1S/C17H25N3O3S/c1-11-9-20(10-12(2)23-11)24(21,22)18-8-15-5-6-17-16(7-15)13(3)14(4)19-17/h5-7,11-12,18-19H,8-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyRQDNUEWWJJRLMC-RYUDHWBXSA-N
MW351.47 g/mol
LogP2.23
Rot. Bonds4

About (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 52527539) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID52527539
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2c1C
InChIInChI=1S/C17H25N3O3S/c1-11-9-20(10-12(2)23-11)24(21,22)18-8-15-5-6-17-16(7-15)13(3)14(4)19-17/h5-7,11-12,18-19H,8-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyRQDNUEWWJJRLMC-RYUDHWBXSA-N
XLogP2.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47215824
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
(2R,6R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94022877
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 46971928
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
1-[4-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 46452711
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 47065243
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
CID 169029487
N-[(2,3-dimethyl-1H-indol-5-yl)methyl-tritioamino]thiohydroxylamine
CID 129175801

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 52527539) is (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is Cc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2c1C.
What is the InChIKey of (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is RQDNUEWWJJRLMC-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11-9-20(10-12(2)23-11)24(21,22)18-8-15-5-6-17-16(7-15)13(3)14(4)19-17/h5-7,11-12,18-19H,8-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 52527539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).