N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C16H25N3O4S2 — CID 47088317

IUPACN-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)NCCCNC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H25N3O4S2/c1-2-25(22,23)18-9-5-8-17-15(20)13-6-3-10-19(12-13)16(21)14-7-4-11-24-14/h4,7,11,13,18H,2-3,5-6,8-10,12H2,1H3,(H,17,20)
InChIKeyCCSGQMUAHZASKD-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.05
Rot. Bonds8

About N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 47088317) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID47088317
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC NameN-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)NCCCNC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H25N3O4S2/c1-2-25(22,23)18-9-5-8-17-15(20)13-6-3-10-19(12-13)16(21)14-7-4-11-24-14/h4,7,11,13,18H,2-3,5-6,8-10,12H2,1H3,(H,17,20)
InChIKeyCCSGQMUAHZASKD-UHFFFAOYSA-N
XLogP1.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 47088317) is N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCS(=O)(=O)NCCCNC(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is CCSGQMUAHZASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-2-25(22,23)18-9-5-8-17-15(20)13-6-3-10-19(12-13)16(21)14-7-4-11-24-14/h4,7,11,13,18H,2-3,5-6,8-10,12H2,1H3,(H,17,20).
What are the key properties of N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47088317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).