N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide

C13H21N3O5S — CID 135115737

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O5S/c1-4-11-12(14-8-21-11)13(17)15-10-6-20-5-9(10)7-22(18,19)16(2)3/h8-10H,4-7H2,1-3H3,(H,15,17)/t9-,10-/m0/s1
InChIKeyDRNBOEFUQYXQPB-UWVGGRQHSA-N
MW331.39 g/mol
LogP-0.13
Rot. Bonds6

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 135115737) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID135115737
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O5S/c1-4-11-12(14-8-21-11)13(17)15-10-6-20-5-9(10)7-22(18,19)16(2)3/h8-10H,4-7H2,1-3H3,(H,15,17)/t9-,10-/m0/s1
InChIKeyDRNBOEFUQYXQPB-UWVGGRQHSA-N
XLogP-0.13
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 135115737) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is DRNBOEFUQYXQPB-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-4-11-12(14-8-21-11)13(17)15-10-6-20-5-9(10)7-22(18,19)16(2)3/h8-10H,4-7H2,1-3H3,(H,15,17)/t9-,10-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of -0.13, 6 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]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135115737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).