N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine

C13H22ClN3O2S2 — CID 61045201

IUPACN-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C13H22ClN3O2S2/c1-3-16(4-2)10-11-5-7-17(8-6-11)21(18,19)12-9-15-13(14)20-12/h9,11H,3-8,10H2,1-2H3
InChIKeyMEDXPRRIYGEBAT-UHFFFAOYSA-N
MW351.93 g/mol
LogP2.54
Rot. Bonds6

About N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine

N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine (PubChem CID 61045201) has the molecular formula C13H22ClN3O2S2 and a molecular weight of 351.93 g/mol. Its IUPAC name is N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine
PubChem CID61045201
Molecular FormulaC13H22ClN3O2S2
Molecular Weight351.93 g/mol
Exact Mass351.08
IUPAC NameN-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C13H22ClN3O2S2/c1-3-16(4-2)10-11-5-7-17(8-6-11)21(18,19)12-9-15-13(14)20-12/h9,11H,3-8,10H2,1-2H3
InChIKeyMEDXPRRIYGEBAT-UHFFFAOYSA-N
XLogP2.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.93
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine (CID 61045201) is N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine is CCN(CC)CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine?
The InChIKey is MEDXPRRIYGEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2S2/c1-3-16(4-2)10-11-5-7-17(8-6-11)21(18,19)12-9-15-13(14)20-12/h9,11H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine?
N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine has a molecular weight of 351.93 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 61045201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).