ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate

C11H16ClN3O4S2 — CID 61045545

IUPACethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-19-11(16)14-8-4-3-5-15(7-8)21(17,18)9-6-13-10(12)20-9/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyWTTHIQDZCOKEJG-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.70
Rot. Bonds4

About ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate

ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate (PubChem CID 61045545) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate
PubChem CID61045545
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC Nameethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C11H16ClN3O4S2/c1-2-19-11(16)14-8-4-3-5-15(7-8)21(17,18)9-6-13-10(12)20-9/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyWTTHIQDZCOKEJG-UHFFFAOYSA-N
XLogP1.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate (CID 61045545) is ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1.
What is the InChIKey of ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate?
The InChIKey is WTTHIQDZCOKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-2-19-11(16)14-8-4-3-5-15(7-8)21(17,18)9-6-13-10(12)20-9/h6,8H,2-5,7H2,1H3,(H,14,16).
What are the key properties of ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate?
ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate has a molecular weight of 353.85 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 61045545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).