1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide

C17H24N4O4S2 — CID 23879090

IUPAC1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C17H24N4O4S2/c18-16(22)13-5-7-20(8-6-13)17(26)19-14-1-3-15(4-2-14)27(23,24)21-9-11-25-12-10-21/h1-4,13H,5-12H2,(H2,18,22)(H,19,26)
InChIKeyVSNAJZJFRSQSFJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP0.60
Rot. Bonds4

About 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide

1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide (PubChem CID 23879090) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
PubChem CID23879090
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C17H24N4O4S2/c18-16(22)13-5-7-20(8-6-13)17(26)19-14-1-3-15(4-2-14)27(23,24)21-9-11-25-12-10-21/h1-4,13H,5-12H2,(H2,18,22)(H,19,26)
InChIKeyVSNAJZJFRSQSFJ-UHFFFAOYSA-N
XLogP0.60
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271594
4-cyclohexyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271620
(2R,4R)-4-hydroxy-1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 40834856
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
(2S,6S)-2,6-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 27522121
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 8627240
N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67194643
4-(5-bromothiophen-2-yl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271631
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446

Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide (CID 23879090) is 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide?
The InChIKey is VSNAJZJFRSQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c18-16(22)13-5-7-20(8-6-13)17(26)19-14-1-3-15(4-2-14)27(23,24)21-9-11-25-12-10-21/h1-4,13H,5-12H2,(H2,18,22)(H,19,26).
What are the key properties of 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide?
1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide is sourced from PubChem (CID 23879090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).