azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone

C18H26N2O4S — CID 110343797

IUPACazepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)CCO1
InChIInChI=1S/C18H26N2O4S/c1-15-14-20(12-13-24-15)25(22,23)17-8-6-16(7-9-17)18(21)19-10-4-2-3-5-11-19/h6-9,15H,2-5,10-14H2,1H3
InChIKeyHVRHTYGNVGDDEZ-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.11
Rot. Bonds3

About azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone

azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone (PubChem CID 110343797) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
PubChem CID110343797
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameazepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)CCO1
InChIInChI=1S/C18H26N2O4S/c1-15-14-20(12-13-24-15)25(22,23)17-8-6-16(7-9-17)18(21)19-10-4-2-3-5-11-19/h6-9,15H,2-5,10-14H2,1H3
InChIKeyHVRHTYGNVGDDEZ-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343773
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenol
CID 62968856
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The IUPAC name of azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone (CID 110343797) is azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone is CC1CN(S(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)CCO1.
What is the InChIKey of azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The InChIKey is HVRHTYGNVGDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-15-14-20(12-13-24-15)25(22,23)17-8-6-16(7-9-17)18(21)19-10-4-2-3-5-11-19/h6-9,15H,2-5,10-14H2,1H3.
What are the key properties of azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone has a molecular weight of 366.48 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 110343797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).