N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide

C18H25N3O4S2 — CID 40900598

IUPACN-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCSCC3)C2)cc1
InChIInChI=1S/C18H25N3O4S2/c1-14(22)19-16-4-6-17(7-5-16)27(24,25)21-8-2-3-15(13-21)18(23)20-9-11-26-12-10-20/h4-7,15H,2-3,8-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyRFDWAADDSZYOTR-HNNXBMFYSA-N
MW411.55 g/mol
LogP1.62
Rot. Bonds4

About N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 40900598) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID40900598
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC NameN-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCSCC3)C2)cc1
InChIInChI=1S/C18H25N3O4S2/c1-14(22)19-16-4-6-17(7-5-16)27(24,25)21-8-2-3-15(13-21)18(23)20-9-11-26-12-10-20/h4-7,15H,2-3,8-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyRFDWAADDSZYOTR-HNNXBMFYSA-N
XLogP1.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
methyl N-[4-[(3R)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190354
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 58702055
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
methyl N-[4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 42223979
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 40900598) is N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCSCC3)C2)cc1.
What is the InChIKey of N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RFDWAADDSZYOTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-14(22)19-16-4-6-17(7-5-16)27(24,25)21-8-2-3-15(13-21)18(23)20-9-11-26-12-10-20/h4-7,15H,2-3,8-13H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 40900598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).