5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine

C10H17N3O2S2 — CID 87416980

IUPAC5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C10H17N3O2S2/c1-7-4-3-5-8(2)13(7)17(14,15)9-6-12-10(11)16-9/h6-8H,3-5H2,1-2H3,(H2,11,12)/t7-,8+
InChIKeyBPEVLHJSCMFVBJ-OCAPTIKFSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds2

About 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine

5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine (PubChem CID 87416980) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine
PubChem CID87416980
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C10H17N3O2S2/c1-7-4-3-5-8(2)13(7)17(14,15)9-6-12-10(11)16-9/h6-8H,3-5H2,1-2H3,(H2,11,12)/t7-,8+
InChIKeyBPEVLHJSCMFVBJ-OCAPTIKFSA-N
XLogP1.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine (CID 87416980) is 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cnc(N)s1.
What is the InChIKey of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine?
The InChIKey is BPEVLHJSCMFVBJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7-4-3-5-8(2)13(7)17(14,15)9-6-12-10(11)16-9/h6-8H,3-5H2,1-2H3,(H2,11,12)/t7-,8+.
What are the key properties of 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine?
5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87416980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).