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

C14H22N2OS — CID 115270597

IUPAC1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
SMILESCc1ccsc1CCC(=O)N1CCCC1(C)CN
InChIInChI=1S/C14H22N2OS/c1-11-6-9-18-12(11)4-5-13(17)16-8-3-7-14(16,2)10-15/h6,9H,3-5,7-8,10,15H2,1-2H3
InChIKeyVSUBFFRXPLKSEC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.33
Rot. Bonds4

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

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one (PubChem CID 115270597) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
PubChem CID115270597
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
SMILESCc1ccsc1CCC(=O)N1CCCC1(C)CN
InChIInChI=1S/C14H22N2OS/c1-11-6-9-18-12(11)4-5-13(17)16-8-3-7-14(16,2)10-15/h6,9H,3-5,7-8,10,15H2,1-2H3
InChIKeyVSUBFFRXPLKSEC-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82511099
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 115270508
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 115270557
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one (CID 115270597) is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one is Cc1ccsc1CCC(=O)N1CCCC1(C)CN.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one?
The InChIKey is VSUBFFRXPLKSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-6-9-18-12(11)4-5-13(17)16-8-3-7-14(16,2)10-15/h6,9H,3-5,7-8,10,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one?
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 115270597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).