[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone

C12H18N2OS — CID 115270537

IUPAC[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC1(C)CN
InChIInChI=1S/C12H18N2OS/c1-9-4-7-16-10(9)11(15)14-6-3-5-12(14,2)8-13/h4,7H,3,5-6,8,13H2,1-2H3
InChIKeyDJKRYVQRZAEEEO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.01
Rot. Bonds2

About [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 115270537) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID115270537
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC1(C)CN
InChIInChI=1S/C12H18N2OS/c1-9-4-7-16-10(9)11(15)14-6-3-5-12(14,2)8-13/h4,7H,3,5-6,8,13H2,1-2H3
InChIKeyDJKRYVQRZAEEEO-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 115270537) is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCCC1(C)CN.
What is the InChIKey of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is DJKRYVQRZAEEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-7-16-10(9)11(15)14-6-3-5-12(14,2)8-13/h4,7H,3,5-6,8,13H2,1-2H3.
What are the key properties of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 115270537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).