[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

C16H24N2O2S — CID 146103629

IUPAC[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)(C3CCOCC3)C2)s1
InChIInChI=1S/C16H24N2O2S/c1-12-2-3-14(21-12)15(19)18-7-6-16(10-17,11-18)13-4-8-20-9-5-13/h2-3,13H,4-11,17H2,1H3
InChIKeyRILBHYIGLAJXMJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.27
Rot. Bonds3

About [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 146103629) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID146103629
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)(C3CCOCC3)C2)s1
InChIInChI=1S/C16H24N2O2S/c1-12-2-3-14(21-12)15(19)18-7-6-16(10-17,11-18)13-4-8-20-9-5-13/h2-3,13H,4-11,17H2,1H3
InChIKeyRILBHYIGLAJXMJ-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 103726749
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
[(3aR,7aS)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
CID 124791193
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
(E)-4-(dimethylamino)-1-[2-(5-methylthiophene-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]but-2-en-1-one
CID 176557496
3-methyl-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164526
ethyl 4-[(2S)-6-(5-methylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 42317512
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 70717193
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 146103629) is [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(CN)(C3CCOCC3)C2)s1.
What is the InChIKey of [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is RILBHYIGLAJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-2-3-14(21-12)15(19)18-7-6-16(10-17,11-18)13-4-8-20-9-5-13/h2-3,13H,4-11,17H2,1H3.
What are the key properties of [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 146103629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).