1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

C20H25N3O3S2 — CID 20973374

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H25N3O3S2/c24-20(21-12-18-13-27-14-22-18)16-7-9-23(10-8-16)28(25,26)19-6-5-15-3-1-2-4-17(15)11-19/h5-6,11,13-14,16H,1-4,7-10,12H2,(H,21,24)
InChIKeyBJIFSDLGEBIPEV-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.74
Rot. Bonds5

About 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 20973374) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID20973374
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C20H25N3O3S2/c24-20(21-12-18-13-27-14-22-18)16-7-9-23(10-8-16)28(25,26)19-6-5-15-3-1-2-4-17(15)11-19/h5-6,11,13-14,16H,1-4,7-10,12H2,(H,21,24)
InChIKeyBJIFSDLGEBIPEV-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (CID 20973374) is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cscn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BJIFSDLGEBIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c24-20(21-12-18-13-27-14-22-18)16-7-9-23(10-8-16)28(25,26)19-6-5-15-3-1-2-4-17(15)11-19/h5-6,11,13-14,16H,1-4,7-10,12H2,(H,21,24).
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20973374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).