N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide

C14H22N2OS — CID 115271547

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide
SMILESCNCC1(CNC(=O)CCCc2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-15-10-14(7-8-14)11-16-13(17)6-2-4-12-5-3-9-18-12/h3,5,9,15H,2,4,6-8,10-11H2,1H3,(H,16,17)
InChIKeyJKXFFFBQPNQTNJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.19
Rot. Bonds8

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 115271547) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID115271547
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide
SMILESCNCC1(CNC(=O)CCCc2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-15-10-14(7-8-14)11-16-13(17)6-2-4-12-5-3-9-18-12/h3,5,9,15H,2,4,6-8,10-11H2,1H3,(H,16,17)
InChIKeyJKXFFFBQPNQTNJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
2-[1-[(3-thiophen-2-ylpropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164192
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide (CID 115271547) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide is CNCC1(CNC(=O)CCCc2cccs2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is JKXFFFBQPNQTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-15-10-14(7-8-14)11-16-13(17)6-2-4-12-5-3-9-18-12/h3,5,9,15H,2,4,6-8,10-11H2,1H3,(H,16,17).
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 266.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 115271547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).