N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide

C10H15N3O4S2 — CID 79029892

IUPACN-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N2CC[C@H](O)C2)cs1
InChIInChI=1S/C10H15N3O4S2/c1-19(16,17)12-10-11-7(6-18-10)4-9(15)13-3-2-8(14)5-13/h6,8,14H,2-5H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyKGAJNWUPLQLSNL-QMMMGPOBSA-N
MW305.38 g/mol
LogP-0.35
Rot. Bonds4

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

N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 79029892) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID79029892
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC NameN-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N2CC[C@H](O)C2)cs1
InChIInChI=1S/C10H15N3O4S2/c1-19(16,17)12-10-11-7(6-18-10)4-9(15)13-3-2-8(14)5-13/h6,8,14H,2-5H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyKGAJNWUPLQLSNL-QMMMGPOBSA-N
XLogP-0.35
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 81197033
N-cyclopropyl-N-(2-hydroxyethyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 43577119
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 16827166
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
2-methyl-N-[4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119539615
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797
N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47035830
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119374849

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 79029892) is N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(CC(=O)N2CC[C@H](O)C2)cs1.
What is the InChIKey of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is KGAJNWUPLQLSNL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-19(16,17)12-10-11-7(6-18-10)4-9(15)13-3-2-8(14)5-13/h6,8,14H,2-5H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 305.38 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 79029892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).