N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide

C13H22N2OS — CID 61067971

IUPACN-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NCc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-4-5-10(2)15-13(16)11(3)14-8-12-6-7-17-9-12/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyOAIWJVNVZHIFNZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.53
Rot. Bonds7

About N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide

N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide (PubChem CID 61067971) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
PubChem CID61067971
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NCc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-4-5-10(2)15-13(16)11(3)14-8-12-6-7-17-9-12/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyOAIWJVNVZHIFNZ-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
CID 106434975
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
CID 43112506
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide?
The IUPAC name of N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide (CID 61067971) is N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide is CCCC(C)NC(=O)C(C)NCc1ccsc1.
What is the InChIKey of N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide?
The InChIKey is OAIWJVNVZHIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-5-10(2)15-13(16)11(3)14-8-12-6-7-17-9-12/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide?
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide is sourced from PubChem (CID 61067971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).