N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide

C13H22N4O4S — CID 135094246

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCn1cccn1
InChIInChI=1S/C13H22N4O4S/c1-16(2)22(19,20)10-11-8-21-9-12(11)15-13(18)4-7-17-6-3-5-14-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyIAXXKLRLBCPZLD-RYUDHWBXSA-N
MW330.41 g/mol
LogP-0.70
Rot. Bonds7

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 135094246) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID135094246
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCn1cccn1
InChIInChI=1S/C13H22N4O4S/c1-16(2)22(19,20)10-11-8-21-9-12(11)15-13(18)4-7-17-6-3-5-14-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyIAXXKLRLBCPZLD-RYUDHWBXSA-N
XLogP-0.70
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 135119880
3-(benzimidazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]propanamide
CID 135119309
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 135111853
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-phenylbutanamide
CID 135113863
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 135096220
N-(2-aminocyclopropyl)-3-pyrazol-1-ylpropanamide
CID 43593652
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-thiophen-2-ylbutanamide
CID 135112135
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-1-ylacetamide
CID 135117226
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide
CID 135119672
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide (CID 135094246) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCn1cccn1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is IAXXKLRLBCPZLD-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-16(2)22(19,20)10-11-8-21-9-12(11)15-13(18)4-7-17-6-3-5-14-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 330.41 g/mol, XLogP of -0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 135094246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).