4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide

C18H27N5O3S2 — CID 2193503

IUPAC4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H27N5O3S2/c19-16(24)18(23-10-2-1-3-11-23)8-12-22(13-9-18)17(27)21-14-4-6-15(7-5-14)28(20,25)26/h4-7H,1-3,8-13H2,(H2,19,24)(H,21,27)(H2,20,25,26)
InChIKeyINWTXPABRGYZFG-UHFFFAOYSA-N
MW425.58 g/mol
LogP0.84
Rot. Bonds4

About 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide

4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide (PubChem CID 2193503) has the molecular formula C18H27N5O3S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide
PubChem CID2193503
Molecular FormulaC18H27N5O3S2
Molecular Weight425.58 g/mol
Exact Mass425.16
IUPAC Name4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H27N5O3S2/c19-16(24)18(23-10-2-1-3-11-23)8-12-22(13-9-18)17(27)21-14-4-6-15(7-5-14)28(20,25)26/h4-7H,1-3,8-13H2,(H2,19,24)(H,21,27)(H2,20,25,26)
InChIKeyINWTXPABRGYZFG-UHFFFAOYSA-N
XLogP0.84
TPSA121.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-{[(4-Fluorophenyl)amino]thioxomethyl}-4-piperidylpiperidine-4-carboxamide
CID 1323207
N1-[4-(piperidinosulfonyl)phenyl]-3-methylpiperidine-1-carbothioamide
CID 2803140
N-{4-[4-(Piperidine-1-carbonyl)-piperazine-1-sulfonyl]-phenyl}-acrylamide
CID 52938046
2-(4-Methyl-piperazin-1-yl)-N-[4-(4-methyl-piperidine-1-sulfonyl)-phenyl]-acetamide
CID 649504
1-(4-Acetamidophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1511013
N-(3-methylbutanoyl)-N'-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea
CID 1791868
N-isobutyryl-N'-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea
CID 1792526
N-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-2-(4-phenyl-1-piperazinyl)acetamide
CID 2975834
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 2997874
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-(3-methyl-piperidin-1-yl)-acetamide
CID 3178238
N-[4-(3-Methyl-piperidine-1-sulfonyl)-phenyl]-2-piperidin-1-yl-acetamide
CID 3178241
N-[4-(3-Methyl-piperidine-1-sulfonyl)-phenyl]-2-(4-methyl-piperidin-1-yl)-acetamide
CID 3178243

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide?
The IUPAC name of 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide (CID 2193503) is 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide?
The InChIKey is INWTXPABRGYZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S2/c19-16(24)18(23-10-2-1-3-11-23)8-12-22(13-9-18)17(27)21-14-4-6-15(7-5-14)28(20,25)26/h4-7H,1-3,8-13H2,(H2,19,24)(H,21,27)(H2,20,25,26).
What are the key properties of 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide?
4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide is sourced from PubChem (CID 2193503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).