1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine

C18H26N2O3S — CID 41236223

IUPAC1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
SMILESO=S(=O)(c1ccc(CNC[C@H]2CC=CCC2)cc1)N1CCOCC1
InChIInChI=1S/C18H26N2O3S/c21-24(22,20-10-12-23-13-11-20)18-8-6-17(7-9-18)15-19-14-16-4-2-1-3-5-16/h1-2,6-9,16,19H,3-5,10-15H2/t16-/m0/s1
InChIKeyFMPSMVFERYPTFF-INIZCTEOSA-N
MW350.48 g/mol
LogP2.15
Rot. Bonds6

About 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine

1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine (PubChem CID 41236223) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
PubChem CID41236223
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
SMILESO=S(=O)(c1ccc(CNC[C@H]2CC=CCC2)cc1)N1CCOCC1
InChIInChI=1S/C18H26N2O3S/c21-24(22,20-10-12-23-13-11-20)18-8-6-17(7-9-18)15-19-14-16-4-2-1-3-5-16/h1-2,6-9,16,19H,3-5,10-15H2/t16-/m0/s1
InChIKeyFMPSMVFERYPTFF-INIZCTEOSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932691
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066698
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]spiro[3.4]octan-3-amine
CID 139007045
4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
CID 9391433

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
The IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine (CID 41236223) is 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
The canonical SMILES for 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine is O=S(=O)(c1ccc(CNC[C@H]2CC=CCC2)cc1)N1CCOCC1.
What is the InChIKey of 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
The InChIKey is FMPSMVFERYPTFF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-24(22,20-10-12-23-13-11-20)18-8-6-17(7-9-18)15-19-14-16-4-2-1-3-5-16/h1-2,6-9,16,19H,3-5,10-15H2/t16-/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine has a molecular weight of 350.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine is sourced from PubChem (CID 41236223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).