N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide

C13H22N2OS — CID 81409137

IUPACN-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
SMILESCCC(C)(C)NC(=O)CN[C@@H](C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-5-13(3,4)15-12(16)9-14-10(2)11-7-6-8-17-11/h6-8,10,14H,5,9H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyITLJWOLJMYWXQR-JTQLQIEISA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide

N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide (PubChem CID 81409137) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
PubChem CID81409137
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
SMILESCCC(C)(C)NC(=O)CN[C@@H](C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-5-13(3,4)15-12(16)9-14-10(2)11-7-6-8-17-11/h6-8,10,14H,5,9H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyITLJWOLJMYWXQR-JTQLQIEISA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
N-(2-methylbutan-2-yl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60674187
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N-(2,6-dichlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81407882
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoic acid
CID 103257806
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide (CID 81409137) is N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide is CCC(C)(C)NC(=O)CN[C@@H](C)c1cccs1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide?
The InChIKey is ITLJWOLJMYWXQR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-13(3,4)15-12(16)9-14-10(2)11-7-6-8-17-11/h6-8,10,14H,5,9H2,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide?
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide has a molecular weight of 254.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide is sourced from PubChem (CID 81409137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).