N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide

C16H24N2O4S2 — CID 136519093

IUPACN-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C16H24N2O4S2/c1-3-4-7-17-15(19)12-6-5-8-18(10-12)16(20)13-9-14(23-11-13)24(2,21)22/h9,11-12H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyNFYHAGIQIZEBEZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.92
Rot. Bonds6

About N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide

N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 136519093) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide
PubChem CID136519093
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C16H24N2O4S2/c1-3-4-7-17-15(19)12-6-5-8-18(10-12)16(20)13-9-14(23-11-13)24(2,21)22/h9,11-12H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyNFYHAGIQIZEBEZ-UHFFFAOYSA-N
XLogP1.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-butyl-1-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxamide
CID 49407361
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729196
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 60559969
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821560

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide (CID 136519093) is N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1.
What is the InChIKey of N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is NFYHAGIQIZEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-3-4-7-17-15(19)12-6-5-8-18(10-12)16(20)13-9-14(23-11-13)24(2,21)22/h9,11-12H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide?
N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 136519093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).