4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine

C10H17N3O3S — CID 103576249

IUPAC4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
SMILESCc1cc(CS(=O)(=O)N2CC(C)C(N)C2)no1
InChIInChI=1S/C10H17N3O3S/c1-7-4-13(5-10(7)11)17(14,15)6-9-3-8(2)16-12-9/h3,7,10H,4-6,11H2,1-2H3
InChIKeyWNEZPIPTYGPNOZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.09
Rot. Bonds3

About 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine

4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine (PubChem CID 103576249) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
PubChem CID103576249
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
SMILESCc1cc(CS(=O)(=O)N2CC(C)C(N)C2)no1
InChIInChI=1S/C10H17N3O3S/c1-7-4-13(5-10(7)11)17(14,15)6-9-3-8(2)16-12-9/h3,7,10H,4-6,11H2,1-2H3
InChIKeyWNEZPIPTYGPNOZ-UHFFFAOYSA-N
XLogP0.09
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
CID 62371531
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)sulfonylmethyl]-5-methyl-1,2-oxazole
CID 66243152
[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine
CID 103441474
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
CID 80552473
6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
CID 128975302
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766867
3-[(3-amino-4-methylpyrrolidin-1-yl)sulfonylmethyl]benzonitrile
CID 103576343
1-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 79546818
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114422160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine (CID 103576249) is 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine is Cc1cc(CS(=O)(=O)N2CC(C)C(N)C2)no1.
What is the InChIKey of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine?
The InChIKey is WNEZPIPTYGPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-4-13(5-10(7)11)17(14,15)6-9-3-8(2)16-12-9/h3,7,10H,4-6,11H2,1-2H3.
What are the key properties of 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine?
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine has a molecular weight of 259.33 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine is sourced from PubChem (CID 103576249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).