(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine

C14H19N3O2S2 — CID 96539033

IUPAC(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)s1
InChIInChI=1S/C14H19N3O2S2/c1-2-11-6-7-13(20-11)21(18,19)17-10-4-3-5-12(17)14-15-8-9-16-14/h6-9,12H,2-5,10H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyFWMQCRZXRFISLB-LBPRGKRZSA-N
MW325.46 g/mol
LogP2.95
Rot. Bonds4

About (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine

(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine (PubChem CID 96539033) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine
PubChem CID96539033
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)s1
InChIInChI=1S/C14H19N3O2S2/c1-2-11-6-7-13(20-11)21(18,19)17-10-4-3-5-12(17)14-15-8-9-16-14/h6-9,12H,2-5,10H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyFWMQCRZXRFISLB-LBPRGKRZSA-N
XLogP2.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine?
The IUPAC name of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine (CID 96539033) is (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine is CCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)s1.
What is the InChIKey of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine?
The InChIKey is FWMQCRZXRFISLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-2-11-6-7-13(20-11)21(18,19)17-10-4-3-5-12(17)14-15-8-9-16-14/h6-9,12H,2-5,10H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine?
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine has a molecular weight of 325.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 96539033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).