1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C16H30N4O4S — CID 55512249

IUPAC1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N4O4S/c21-16(15-17-11-13-24-14-12-17)18-7-9-20(10-8-18)25(22,23)19-5-3-1-2-4-6-19/h1-15H2
InChIKeyVECAYPFFYAGHKV-UHFFFAOYSA-N
MW374.51 g/mol
LogP-0.42
Rot. Bonds4

About 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55512249) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55512249
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC Name1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N4O4S/c21-16(15-17-11-13-24-14-12-17)18-7-9-20(10-8-18)25(22,23)19-5-3-1-2-4-6-19/h1-15H2
InChIKeyVECAYPFFYAGHKV-UHFFFAOYSA-N
XLogP-0.42
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[4-(4-Morpholinylsulfonyl)-1-piperazinyl]carbonyl}azepane
CID 2234132
2-[3-(Azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 53550430
1-(Azepan-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 55409351
2-[4-[2-(Azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 55432659
1-(Azepan-1-yl)-2-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55473989
2-[4-(Azepan-1-ylsulfonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55486209
1-[4-(Azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55486269
1-[2-[4-(2-Morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
CID 55496719
N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide
CID 55564961
N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-sulfonamide
CID 55565923
N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 55566184
1-[4-(2-Methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 55598823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55512249) is 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is VECAYPFFYAGHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c21-16(15-17-11-13-24-14-12-17)18-7-9-20(10-8-18)25(22,23)19-5-3-1-2-4-6-19/h1-15H2.
What are the key properties of 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 374.51 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55512249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).