1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C13H23N3O2S2 — CID 170623111

IUPAC1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(NCc2nccs2)CC1
InChIInChI=1S/C13H23N3O2S2/c1-2-3-10-20(17,18)16-7-4-12(5-8-16)15-11-13-14-6-9-19-13/h6,9,12,15H,2-5,7-8,10-11H2,1H3
InChIKeyTYKUVDOSVBTKRP-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.83
Rot. Bonds7

About 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 170623111) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID170623111
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(NCc2nccs2)CC1
InChIInChI=1S/C13H23N3O2S2/c1-2-3-10-20(17,18)16-7-4-12(5-8-16)15-11-13-14-6-9-19-13/h6,9,12,15H,2-5,7-8,10-11H2,1H3
InChIKeyTYKUVDOSVBTKRP-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 170623111) is 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CCCCS(=O)(=O)N1CCC(NCc2nccs2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is TYKUVDOSVBTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-2-3-10-20(17,18)16-7-4-12(5-8-16)15-11-13-14-6-9-19-13/h6,9,12,15H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 317.48 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 170623111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).