N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide

C14H22N2OS — CID 113220254

IUPACN-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(c1cccs1)C1CC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)16-12(17)9-15-13(10-6-7-10)11-5-4-8-18-11/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyOQXRTCXJPYOTCZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.70
Rot. Bonds5

About N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide

N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 113220254) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID113220254
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(c1cccs1)C1CC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)16-12(17)9-15-13(10-6-7-10)11-5-4-8-18-11/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyOQXRTCXJPYOTCZ-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide 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-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 115900267
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
tert-butyl N-[3-[[cyclopropyl(thiophen-2-yl)methyl]amino]propyl]carbamate
CID 103910636
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide (CID 113220254) is N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide is CC(C)(C)NC(=O)CNC(c1cccs1)C1CC1.
What is the InChIKey of N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is OQXRTCXJPYOTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)16-12(17)9-15-13(10-6-7-10)11-5-4-8-18-11/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide?
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 113220254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).