N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

C14H22N2O3S2 — CID 5071542

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESCC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H22N2O3S2/c1-11-8-12(2)10-16(9-11)13(17)5-6-15-21(18,19)14-4-3-7-20-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3
InChIKeyFGVKJLDEGMOEAO-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.92
Rot. Bonds5

About N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 5071542) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID5071542
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESCC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H22N2O3S2/c1-11-8-12(2)10-16(9-11)13(17)5-6-15-21(18,19)14-4-3-7-20-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3
InChIKeyFGVKJLDEGMOEAO-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3243927
N-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 4300301
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4387660
N-Cycloheptyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053793
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
(4-Methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 2091610
N-isopropyl-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 3239956
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(2-methylbutan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2089592
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
N-(3-azepan-1-yl-3-oxopropyl)thiophene-2-sulfonamide
CID 3245282
(3,5-Dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4670692

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (CID 5071542) is N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is CC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is FGVKJLDEGMOEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-11-8-12(2)10-16(9-11)13(17)5-6-15-21(18,19)14-4-3-7-20-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).