1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one

C16H24N2O4S2 — CID 127778958

IUPAC1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
SMILESCC(C(=O)N1CCCC(S(=O)(=O)N2CCOCC2)C1)c1cccs1
InChIInChI=1S/C16H24N2O4S2/c1-13(15-5-3-11-23-15)16(19)17-6-2-4-14(12-17)24(20,21)18-7-9-22-10-8-18/h3,5,11,13-14H,2,4,6-10,12H2,1H3
InChIKeyALUFHHUDRSPCPR-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one

1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one (PubChem CID 127778958) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
PubChem CID127778958
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
SMILESCC(C(=O)N1CCCC(S(=O)(=O)N2CCOCC2)C1)c1cccs1
InChIInChI=1S/C16H24N2O4S2/c1-13(15-5-3-11-23-15)16(19)17-6-2-4-14(12-17)24(20,21)18-7-9-22-10-8-18/h3,5,11,13-14H,2,4,6-10,12H2,1H3
InChIKeyALUFHHUDRSPCPR-UHFFFAOYSA-N
XLogP1.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
CID 124689811
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
(2R)-1-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 96567260
(2S,3R)-2-[1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-4-yl]oxolane-3-carboxylic acid
CID 129469166
N-(1-thiophen-2-ylethyl)morpholine-4-sulfonamide
CID 47141625
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344454

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one (CID 127778958) is 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one is CC(C(=O)N1CCCC(S(=O)(=O)N2CCOCC2)C1)c1cccs1.
What is the InChIKey of 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one?
The InChIKey is ALUFHHUDRSPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-13(15-5-3-11-23-15)16(19)17-6-2-4-14(12-17)24(20,21)18-7-9-22-10-8-18/h3,5,11,13-14H,2,4,6-10,12H2,1H3.
What are the key properties of 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one?
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one has a molecular weight of 372.51 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 127778958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).