N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H24N4O4S — CID 91911021

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C
InChIInChI=1S/C14H24N4O4S/c1-9-13(10(2)22-16-9)14(19)15-12-8-18(23(5,20)21)7-11(12)6-17(3)4/h11-12H,6-8H2,1-5H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyDLGCQTURUFAGGT-VXGBXAGGSA-N
MW344.44 g/mol
LogP-0.16
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 91911021) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID91911021
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C
InChIInChI=1S/C14H24N4O4S/c1-9-13(10(2)22-16-9)14(19)15-12-8-18(23(5,20)21)7-11(12)6-17(3)4/h11-12H,6-8H2,1-5H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyDLGCQTURUFAGGT-VXGBXAGGSA-N
XLogP-0.16
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 91911021) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DLGCQTURUFAGGT-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-9-13(10(2)22-16-9)14(19)15-12-8-18(23(5,20)21)7-11(12)6-17(3)4/h11-12H,6-8H2,1-5H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91911021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).