2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine

C12H18N2O3S2 — CID 128777456

IUPAC2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
SMILESCc1ncc(S(=O)(=O)N2CCOC(C3CCC3)C2)s1
InChIInChI=1S/C12H18N2O3S2/c1-9-13-7-12(18-9)19(15,16)14-5-6-17-11(8-14)10-3-2-4-10/h7,10-11H,2-6,8H2,1H3
InChIKeyAWCPOXKXZQDYLT-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.64
Rot. Bonds3

About 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine

2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine (PubChem CID 128777456) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
PubChem CID128777456
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
SMILESCc1ncc(S(=O)(=O)N2CCOC(C3CCC3)C2)s1
InChIInChI=1S/C12H18N2O3S2/c1-9-13-7-12(18-9)19(15,16)14-5-6-17-11(8-14)10-3-2-4-10/h7,10-11H,2-6,8H2,1H3
InChIKeyAWCPOXKXZQDYLT-UHFFFAOYSA-N
XLogP1.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine?
The IUPAC name of 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine (CID 128777456) is 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine.
What is the SMILES notation for 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine?
The canonical SMILES for 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine is Cc1ncc(S(=O)(=O)N2CCOC(C3CCC3)C2)s1.
What is the InChIKey of 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine?
The InChIKey is AWCPOXKXZQDYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-9-13-7-12(18-9)19(15,16)14-5-6-17-11(8-14)10-3-2-4-10/h7,10-11H,2-6,8H2,1H3.
What are the key properties of 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine?
2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine has a molecular weight of 302.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine is sourced from PubChem (CID 128777456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).