2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

C11H18N4O4S2 — CID 135087756

IUPAC2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1csc(N)n1
InChIInChI=1S/C11H18N4O4S2/c1-15(2)21(17,18)6-7-3-19-4-8(7)13-10(16)9-5-20-11(12)14-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,14)(H,13,16)/t7-,8-/m0/s1
InChIKeyRCLLPHVDSPRGMO-YUMQZZPRSA-N
MW334.42 g/mol
LogP-0.64
Rot. Bonds5

About 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 135087756) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID135087756
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1csc(N)n1
InChIInChI=1S/C11H18N4O4S2/c1-15(2)21(17,18)6-7-3-19-4-8(7)13-10(16)9-5-20-11(12)14-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,14)(H,13,16)/t7-,8-/m0/s1
InChIKeyRCLLPHVDSPRGMO-YUMQZZPRSA-N
XLogP-0.64
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 135111202
2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 135106889
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 135107442
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide
CID 135108936
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]isoquinoline-1-carboxamide
CID 135120217
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-benzothiazole-6-carboxamide
CID 135098112
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 135119969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (CID 135087756) is 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RCLLPHVDSPRGMO-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-15(2)21(17,18)6-7-3-19-4-8(7)13-10(16)9-5-20-11(12)14-9/h5,7-8H,3-4,6H2,1-2H3,(H2,12,14)(H,13,16)/t7-,8-/m0/s1.
What are the key properties of 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135087756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).