N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide

C10H17N3O3S2 — CID 164626724

IUPACN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide
SMILESCc1csc([C@H](C)NS(=O)(=O)N2CCOCC2)n1
InChIInChI=1S/C10H17N3O3S2/c1-8-7-17-10(11-8)9(2)12-18(14,15)13-3-5-16-6-4-13/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyBSWJUFNYXAWULC-VIFPVBQESA-N
MW291.40 g/mol
LogP0.68
Rot. Bonds4

About N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide

N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide (PubChem CID 164626724) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide
PubChem CID164626724
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide
SMILESCc1csc([C@H](C)NS(=O)(=O)N2CCOCC2)n1
InChIInChI=1S/C10H17N3O3S2/c1-8-7-17-10(11-8)9(2)12-18(14,15)13-3-5-16-6-4-13/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyBSWJUFNYXAWULC-VIFPVBQESA-N
XLogP0.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide (CID 164626724) is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide is Cc1csc([C@H](C)NS(=O)(=O)N2CCOCC2)n1.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide?
The InChIKey is BSWJUFNYXAWULC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-8-7-17-10(11-8)9(2)12-18(14,15)13-3-5-16-6-4-13/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide?
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 164626724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).