4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine

C14H20N2O2S2 — CID 80566784

IUPAC4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CC1CNc2ccccc21
InChIInChI=1S/C14H20N2O2S2/c1-20(17,18)14-10-19-7-6-16(14)9-11-8-15-13-5-3-2-4-12(11)13/h2-5,11,14-15H,6-10H2,1H3
InChIKeyMCBIVYSWEZVOKV-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.62
Rot. Bonds3

About 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine

4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine (PubChem CID 80566784) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
PubChem CID80566784
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CC1CNc2ccccc21
InChIInChI=1S/C14H20N2O2S2/c1-20(17,18)14-10-19-7-6-16(14)9-11-8-15-13-5-3-2-4-12(11)13/h2-5,11,14-15H,6-10H2,1H3
InChIKeyMCBIVYSWEZVOKV-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
CID 80567140
3-methylsulfonyl-4-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)thiomorpholine
CID 66383458
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561
2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
CID 66383750
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
CID 66383197
2-(2,3-dihydro-1H-indol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 80573102
3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 82917213
[(3S)-2,3-dihydro-1-benzothiophen-3-yl]-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
CID 125131198
4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
CID 79384352
4-(2,3-dihydro-1H-indol-2-ylmethyl)-3-ethylsulfonylthiomorpholine
CID 80566473

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine (CID 80566784) is 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1CC1CNc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine?
The InChIKey is MCBIVYSWEZVOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-20(17,18)14-10-19-7-6-16(14)9-11-8-15-13-5-3-2-4-12(11)13/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine?
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine has a molecular weight of 312.46 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 80566784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).