1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine

C16H24N2O3S — CID 71891524

IUPAC1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
SMILESCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)CC1CC1
InChIInChI=1S/C16H24N2O3S/c1-17(12-14-5-6-14)13-15-3-2-4-16(11-15)22(19,20)18-7-9-21-10-8-18/h2-4,11,14H,5-10,12-13H2,1H3
InChIKeyXTJZYJHKRJVOEY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine

1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine (PubChem CID 71891524) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
PubChem CID71891524
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
SMILESCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)CC1CC1
InChIInChI=1S/C16H24N2O3S/c1-17(12-14-5-6-14)13-15-3-2-4-16(11-15)22(19,20)18-7-9-21-10-8-18/h2-4,11,14H,5-10,12-13H2,1H3
InChIKeyXTJZYJHKRJVOEY-UHFFFAOYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
CID 30137390
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204
N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
CID 51120749
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
CID 26009916
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine (CID 71891524) is 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine is CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
The InChIKey is XTJZYJHKRJVOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-17(12-14-5-6-14)13-15-3-2-4-16(11-15)22(19,20)18-7-9-21-10-8-18/h2-4,11,14H,5-10,12-13H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine?
1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine has a molecular weight of 324.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine is sourced from PubChem (CID 71891524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).