N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide

C14H22N2O3S2 — CID 33348692

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-14(2,3)13(17)16-8-6-11(7-9-16)15-21(18,19)12-5-4-10-20-12/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyKZZZVFJGSSQTFT-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 33348692) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID33348692
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-14(2,3)13(17)16-8-6-11(7-9-16)15-21(18,19)12-5-4-10-20-12/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyKZZZVFJGSSQTFT-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
tert-butyl 2-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 55527058
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
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-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55479196

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 33348692) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide is CC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is KZZZVFJGSSQTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-14(2,3)13(17)16-8-6-11(7-9-16)15-21(18,19)12-5-4-10-20-12/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 33348692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).