[2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone

C16H24N2OS — CID 134343252

IUPAC[2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2(C)CN2CCCC2)cs1
InChIInChI=1S/C16H24N2OS/c1-13-10-14(11-20-13)15(19)18-9-5-6-16(18,2)12-17-7-3-4-8-17/h10-11H,3-9,12H2,1-2H3
InChIKeyPSNQMKBNSREVEP-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.15
Rot. Bonds3

About [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone

[2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 134343252) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID134343252
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2(C)CN2CCCC2)cs1
InChIInChI=1S/C16H24N2OS/c1-13-10-14(11-20-13)15(19)18-9-5-6-16(18,2)12-17-7-3-4-8-17/h10-11H,3-9,12H2,1-2H3
InChIKeyPSNQMKBNSREVEP-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone (CID 134343252) is [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCCC2(C)CN2CCCC2)cs1.
What is the InChIKey of [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is PSNQMKBNSREVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-10-14(11-20-13)15(19)18-9-5-6-16(18,2)12-17-7-3-4-8-17/h10-11H,3-9,12H2,1-2H3.
What are the key properties of [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
[2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 134343252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).