N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C15H27N3O3S — CID 71872540

IUPACN-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H27N3O3S/c1-12(2)14-9-16-15(21-14)11-17(3)13-5-6-18(10-13)7-8-22(4,19)20/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyPGHLGCCVHAKVPE-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.35
Rot. Bonds7

About N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71872540) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71872540
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC NameN-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H27N3O3S/c1-12(2)14-9-16-15(21-14)11-17(3)13-5-6-18(10-13)7-8-22(4,19)20/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyPGHLGCCVHAKVPE-UHFFFAOYSA-N
XLogP1.35
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71872540) is N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CC(C)c1cnc(CN(C)C2CCN(CCS(C)(=O)=O)C2)o1.
What is the InChIKey of N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is PGHLGCCVHAKVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-12(2)14-9-16-15(21-14)11-17(3)13-5-6-18(10-13)7-8-22(4,19)20/h9,12-13H,5-8,10-11H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 329.47 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71872540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).