2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide

C12H17BrN2OS — CID 75424656

IUPAC2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1
InChIInChI=1S/C12H17BrN2OS/c1-15(7-10-5-9(13)8-17-10)11(16)6-12(14)3-2-4-12/h5,8H,2-4,6-7,14H2,1H3
InChIKeyRXDPKYRCQBLSLP-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.74
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide

2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 75424656) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID75424656
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1
InChIInChI=1S/C12H17BrN2OS/c1-15(7-10-5-9(13)8-17-10)11(16)6-12(14)3-2-4-12/h5,8H,2-4,6-7,14H2,1H3
InChIKeyRXDPKYRCQBLSLP-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide (CID 75424656) is 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1cc(Br)cs1)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is RXDPKYRCQBLSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-15(7-10-5-9(13)8-17-10)11(16)6-12(14)3-2-4-12/h5,8H,2-4,6-7,14H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 317.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 75424656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).