2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide

C13H22N2OS — CID 79494038

IUPAC2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-10(2)12(14)13(16)15(3)8-7-11-6-5-9-17-11/h5-6,9-10,12H,4,7-8,14H2,1-3H3
InChIKeyMRLORNFARILHSD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.12
Rot. Bonds6

About 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide

2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide (PubChem CID 79494038) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
PubChem CID79494038
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-10(2)12(14)13(16)15(3)8-7-11-6-5-9-17-11/h5-6,9-10,12H,4,7-8,14H2,1-3H3
InChIKeyMRLORNFARILHSD-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide (CID 79494038) is 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide is CCC(C)C(N)C(=O)N(C)CCc1cccs1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide?
The InChIKey is MRLORNFARILHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-10(2)12(14)13(16)15(3)8-7-11-6-5-9-17-11/h5-6,9-10,12H,4,7-8,14H2,1-3H3.
What are the key properties of 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide?
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide is sourced from PubChem (CID 79494038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).