4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine

C19H30N2O3S — CID 163259232

IUPAC4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
SMILESCC(C)CC1(C)CN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C19H30N2O3S/c1-16(2)12-19(3)14-20(15-19)13-17-4-6-18(7-5-17)25(22,23)21-8-10-24-11-9-21/h4-7,16H,8-15H2,1-3H3
InChIKeyUTBIUSBQOIAHKH-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.58
Rot. Bonds6

About 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine

4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine (PubChem CID 163259232) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
PubChem CID163259232
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
SMILESCC(C)CC1(C)CN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C19H30N2O3S/c1-16(2)12-19(3)14-20(15-19)13-17-4-6-18(7-5-17)25(22,23)21-8-10-24-11-9-21/h4-7,16H,8-15H2,1-3H3
InChIKeyUTBIUSBQOIAHKH-UHFFFAOYSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine 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

4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
CID 70704257
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568
1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170592
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine (CID 163259232) is 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine is CC(C)CC1(C)CN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine?
The InChIKey is UTBIUSBQOIAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-16(2)12-19(3)14-20(15-19)13-17-4-6-18(7-5-17)25(22,23)21-8-10-24-11-9-21/h4-7,16H,8-15H2,1-3H3.
What are the key properties of 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine?
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine has a molecular weight of 366.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 163259232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).