5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

C17H24N2O2S3 — CID 16888297

IUPAC5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)s1
InChIInChI=1S/C17H24N2O2S3/c1-2-15-5-6-17(23-15)24(20,21)18-12-14-7-9-19(10-8-14)13-16-4-3-11-22-16/h3-6,11,14,18H,2,7-10,12-13H2,1H3
InChIKeyKRNYKRKBCGOIRN-UHFFFAOYSA-N
MW384.59 g/mol
LogP3.56
Rot. Bonds7

About 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide

5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 16888297) has the molecular formula C17H24N2O2S3 and a molecular weight of 384.59 g/mol. Its IUPAC name is 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID16888297
Molecular FormulaC17H24N2O2S3
Molecular Weight384.59 g/mol
Exact Mass384.10
IUPAC Name5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)s1
InChIInChI=1S/C17H24N2O2S3/c1-2-15-5-6-17(23-15)24(20,21)18-12-14-7-9-19(10-8-14)13-16-4-3-11-22-16/h3-6,11,14,18H,2,7-10,12-13H2,1H3
InChIKeyKRNYKRKBCGOIRN-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5310439
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CID 6710502
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CID 45265160
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CID 3226730
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CID 3240790
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 16888297) is 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)s1.
What is the InChIKey of 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is KRNYKRKBCGOIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S3/c1-2-15-5-6-17(23-15)24(20,21)18-12-14-7-9-19(10-8-14)13-16-4-3-11-22-16/h3-6,11,14,18H,2,7-10,12-13H2,1H3.
What are the key properties of 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 384.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16888297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).