(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one

C16H24N2O4S2 — CID 95088696

IUPAC(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-13(16(19)17-8-10-22-11-9-17)14-4-6-18(7-5-14)24(20,21)15-3-2-12-23-15/h2-3,12-14H,4-11H2,1H3/t13-/m0/s1
InChIKeyCGXHYSUMYLDNDG-ZDUSSCGKSA-N
MW372.51 g/mol
LogP1.64
Rot. Bonds4

About (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one

(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one (PubChem CID 95088696) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
PubChem CID95088696
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-13(16(19)17-8-10-22-11-9-17)14-4-6-18(7-5-14)24(20,21)15-3-2-12-23-15/h2-3,12-14H,4-11H2,1H3/t13-/m0/s1
InChIKeyCGXHYSUMYLDNDG-ZDUSSCGKSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118897
(2R)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088721
(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088759
N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118935
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088661
2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
CID 116681724
ethyl 1-[2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901401
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705049
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118933
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one (CID 95088696) is (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one is C[C@H](C(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one?
The InChIKey is CGXHYSUMYLDNDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-13(16(19)17-8-10-22-11-9-17)14-4-6-18(7-5-14)24(20,21)15-3-2-12-23-15/h2-3,12-14H,4-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one?
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one has a molecular weight of 372.51 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 95088696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).