1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C19H29N3O4S2 — CID 6472594

IUPAC1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S2/c1-27-17-2-4-18(5-3-17)28(24,25)22-9-6-16(7-10-22)19(23)20-8-11-21-12-14-26-15-13-21/h2-5,16H,6-15H2,1H3,(H,20,23)
InChIKeyMTYDHFPXFPKNDY-UHFFFAOYSA-N
MW427.59 g/mol
LogP1.26
Rot. Bonds7

About 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 6472594) has the molecular formula C19H29N3O4S2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID6472594
Molecular FormulaC19H29N3O4S2
Molecular Weight427.59 g/mol
Exact Mass427.16
IUPAC Name1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S2/c1-27-17-2-4-18(5-3-17)28(24,25)22-9-6-16(7-10-22)19(23)20-8-11-21-12-14-26-15-13-21/h2-5,16H,6-15H2,1H3,(H,20,23)
InChIKeyMTYDHFPXFPKNDY-UHFFFAOYSA-N
XLogP1.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
CID 4878801
1-{[4-(methylsulfanyl)phenyl]sulfonyl}-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
(4-Ethylpiperazin-1-yl)(1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidin-4-yl)methanone
CID 6498885
N-cyclopropyl-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide
CID 6498937
1-[(4-fluorophenyl)sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 6462628
1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 24978692
1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 24980025
1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 2295654
1-{[4-(methylsulfanyl)phenyl]sulfonyl}-N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide
CID 6499003
4-(benzenesulfonamidomethyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 9550683

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 6472594) is 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is MTYDHFPXFPKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S2/c1-27-17-2-4-18(5-3-17)28(24,25)22-9-6-16(7-10-22)19(23)20-8-11-21-12-14-26-15-13-21/h2-5,16H,6-15H2,1H3,(H,20,23).
What are the key properties of 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 6472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).