4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol

C14H17N3O3S2 — CID 66586145

IUPAC4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
SMILESC[C@H]1CN(S(=O)(=O)c2nccs2)CCN1c1ccc(O)cc1
InChIInChI=1S/C14H17N3O3S2/c1-11-10-16(22(19,20)14-15-6-9-21-14)7-8-17(11)12-2-4-13(18)5-3-12/h2-6,9,11,18H,7-8,10H2,1H3/t11-/m0/s1
InChIKeyVNJAJMZKIQXUCY-NSHDSACASA-N
MW339.44 g/mol
LogP1.75
Rot. Bonds3

About 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol

4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol (PubChem CID 66586145) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
PubChem CID66586145
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
SMILESC[C@H]1CN(S(=O)(=O)c2nccs2)CCN1c1ccc(O)cc1
InChIInChI=1S/C14H17N3O3S2/c1-11-10-16(22(19,20)14-15-6-9-21-14)7-8-17(11)12-2-4-13(18)5-3-12/h2-6,9,11,18H,7-8,10H2,1H3/t11-/m0/s1
InChIKeyVNJAJMZKIQXUCY-NSHDSACASA-N
XLogP1.75
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol (CID 66586145) is 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol is C[C@H]1CN(S(=O)(=O)c2nccs2)CCN1c1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
The InChIKey is VNJAJMZKIQXUCY-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-11-10-16(22(19,20)14-15-6-9-21-14)7-8-17(11)12-2-4-13(18)5-3-12/h2-6,9,11,18H,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol has a molecular weight of 339.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol is sourced from PubChem (CID 66586145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).