2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine

C15H20BrNO3S — CID 102938133

IUPAC2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC(CBr)O1
InChIInChI=1S/C15H20BrNO3S/c1-11-9-17(10-14(8-16)20-11)21(18,19)15-6-5-12-3-2-4-13(12)7-15/h5-7,11,14H,2-4,8-10H2,1H3
InChIKeyRIVPCUOQGXGBMI-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.35
Rot. Bonds3

About 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine

2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine (PubChem CID 102938133) has the molecular formula C15H20BrNO3S and a molecular weight of 374.30 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine
PubChem CID102938133
Molecular FormulaC15H20BrNO3S
Molecular Weight374.30 g/mol
Exact Mass373.03
IUPAC Name2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC(CBr)O1
InChIInChI=1S/C15H20BrNO3S/c1-11-9-17(10-14(8-16)20-11)21(18,19)15-6-5-12-3-2-4-13(12)7-15/h5-7,11,14H,2-4,8-10H2,1H3
InChIKeyRIVPCUOQGXGBMI-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 102938149
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 102938072
4-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)-6-methylmorpholine
CID 102938147
2,9-bis[[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl]-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide
CID 124913875
2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine
CID 102938093
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 90594025

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine (CID 102938133) is 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine is CC1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine?
The InChIKey is RIVPCUOQGXGBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3S/c1-11-9-17(10-14(8-16)20-11)21(18,19)15-6-5-12-3-2-4-13(12)7-15/h5-7,11,14H,2-4,8-10H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine?
2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine has a molecular weight of 374.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine is sourced from PubChem (CID 102938133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).