4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide

C19H21N3O4S2 — CID 166343391

IUPAC4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
SMILESNC(=O)C12C3C4C1C1C2C3C41C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H21N3O4S2/c20-16(23)18-10-13-11(18)15-12(18)14(10)19(13,15)17(24)22-5-3-8(4-6-22)21-28(25,26)9-2-1-7-27-9/h1-2,7-8,10-15,21H,3-6H2,(H2,20,23)
InChIKeyJJUGIWJFQFDCPV-UHFFFAOYSA-N
MW419.53 g/mol
LogP0.24
Rot. Bonds5

About 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide

4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide (PubChem CID 166343391) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide.

Molecular Properties

Compound Name4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
PubChem CID166343391
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
SMILESNC(=O)C12C3C4C1C1C2C3C41C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H21N3O4S2/c20-16(23)18-10-13-11(18)15-12(18)14(10)19(13,15)17(24)22-5-3-8(4-6-22)21-28(25,26)9-2-1-7-27-9/h1-2,7-8,10-15,21H,3-6H2,(H2,20,23)
InChIKeyJJUGIWJFQFDCPV-UHFFFAOYSA-N
XLogP0.24
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 38170585
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
benzyl N-[4-oxo-4-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butyl]carbamate
CID 55824769

Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide?
The IUPAC name of 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide (CID 166343391) is 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide.
What is the SMILES notation for 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide?
The canonical SMILES for 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide is NC(=O)C12C3C4C1C1C2C3C41C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide?
The InChIKey is JJUGIWJFQFDCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c20-16(23)18-10-13-11(18)15-12(18)14(10)19(13,15)17(24)22-5-3-8(4-6-22)21-28(25,26)9-2-1-7-27-9/h1-2,7-8,10-15,21H,3-6H2,(H2,20,23).
What are the key properties of 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide?
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide is sourced from PubChem (CID 166343391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).