(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid

C10H14N2O4S2 — CID 104937088

IUPAC(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-6-9(17-7)18(15,16)12-5-3-2-4-8(12)10(13)14/h6,8H,2-5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyCPJNTPJQRXDRBR-QMMMGPOBSA-N
MW290.37 g/mol
LogP1.08
Rot. Bonds3

About (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid

(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid (PubChem CID 104937088) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
PubChem CID104937088
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-6-9(17-7)18(15,16)12-5-3-2-4-8(12)10(13)14/h6,8H,2-5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyCPJNTPJQRXDRBR-QMMMGPOBSA-N
XLogP1.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid (CID 104937088) is (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid is Cc1ncc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)s1.
What is the InChIKey of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid?
The InChIKey is CPJNTPJQRXDRBR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-11-6-9(17-7)18(15,16)12-5-3-2-4-8(12)10(13)14/h6,8H,2-5H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid?
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104937088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).