3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide

C15H24N2OS — CID 81498912

IUPAC3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide
SMILESCC(C)(C)c1ccc(CNCCC(=O)NC2CC2)s1
InChIInChI=1S/C15H24N2OS/c1-15(2,3)13-7-6-12(19-13)10-16-9-8-14(18)17-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyXFQIQWLRBKJNRE-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.80
Rot. Bonds6

About 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide

3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide (PubChem CID 81498912) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide
PubChem CID81498912
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide
SMILESCC(C)(C)c1ccc(CNCCC(=O)NC2CC2)s1
InChIInChI=1S/C15H24N2OS/c1-15(2,3)13-7-6-12(19-13)10-16-9-8-14(18)17-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyXFQIQWLRBKJNRE-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81498910
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 112728360
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
CID 79623575
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644717
N-cyclopropyl-3-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 104760412

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide (CID 81498912) is 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide is CC(C)(C)c1ccc(CNCCC(=O)NC2CC2)s1.
What is the InChIKey of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide?
The InChIKey is XFQIQWLRBKJNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2,3)13-7-6-12(19-13)10-16-9-8-14(18)17-11-4-5-11/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide?
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 81498912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).