3-(tert-butylamino)-N-thiophen-3-ylpropanamide

C11H18N2OS — CID 66351972

IUPAC3-(tert-butylamino)-N-thiophen-3-ylpropanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)12-6-4-10(14)13-9-5-7-15-8-9/h5,7-8,12H,4,6H2,1-3H3,(H,13,14)
InChIKeyMRBCOWBDMZJUIH-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.46
Rot. Bonds4

About 3-(tert-butylamino)-N-thiophen-3-ylpropanamide

3-(tert-butylamino)-N-thiophen-3-ylpropanamide (PubChem CID 66351972) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-thiophen-3-ylpropanamide
PubChem CID66351972
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(tert-butylamino)-N-thiophen-3-ylpropanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)12-6-4-10(14)13-9-5-7-15-8-9/h5,7-8,12H,4,6H2,1-3H3,(H,13,14)
InChIKeyMRBCOWBDMZJUIH-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
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3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
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3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
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N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
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3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
CID 61276046
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-thiophen-3-ylpropanamide?
The IUPAC name of 3-(tert-butylamino)-N-thiophen-3-ylpropanamide (CID 66351972) is 3-(tert-butylamino)-N-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-thiophen-3-ylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-N-thiophen-3-ylpropanamide is CC(C)(C)NCCC(=O)Nc1ccsc1.
What is the InChIKey of 3-(tert-butylamino)-N-thiophen-3-ylpropanamide?
The InChIKey is MRBCOWBDMZJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)12-6-4-10(14)13-9-5-7-15-8-9/h5,7-8,12H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 3-(tert-butylamino)-N-thiophen-3-ylpropanamide?
3-(tert-butylamino)-N-thiophen-3-ylpropanamide has a molecular weight of 226.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 66351972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).