N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide

C11H17N3O5S2 — CID 81197033

IUPACN-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N2CCOC(CO)C2)cs1
InChIInChI=1S/C11H17N3O5S2/c1-21(17,18)13-11-12-8(7-20-11)4-10(16)14-2-3-19-9(5-14)6-15/h7,9,15H,2-6H2,1H3,(H,12,13)
InChIKeyFJWAAMDNSQPARV-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.72
Rot. Bonds5

About N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide

N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 81197033) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID81197033
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC NameN-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N2CCOC(CO)C2)cs1
InChIInChI=1S/C11H17N3O5S2/c1-21(17,18)13-11-12-8(7-20-11)4-10(16)14-2-3-19-9(5-14)6-15/h7,9,15H,2-6H2,1H3,(H,12,13)
InChIKeyFJWAAMDNSQPARV-UHFFFAOYSA-N
XLogP-0.72
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 79029892
1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
CID 81208290
N-cyclopropyl-N-(2-hydroxyethyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 43577119
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
1-[(2S)-2-ethylmorpholin-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 38000464
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 86819632
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 81196890
2-[(2R)-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125119116
2-[4-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 119247502
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 81197033) is N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(CC(=O)N2CCOC(CO)C2)cs1.
What is the InChIKey of N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is FJWAAMDNSQPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-21(17,18)13-11-12-8(7-20-11)4-10(16)14-2-3-19-9(5-14)6-15/h7,9,15H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 335.41 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 81197033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).