2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide

C13H22N2OS — CID 54946987

IUPAC2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)12(14)13(16)15(10(3)4)8-11-6-5-7-17-11/h5-7,9-10,12H,8,14H2,1-4H3
InChIKeyLBYLIJKXUJFYLQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide

2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 54946987) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID54946987
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)12(14)13(16)15(10(3)4)8-11-6-5-7-17-11/h5-7,9-10,12H,8,14H2,1-4H3
InChIKeyLBYLIJKXUJFYLQ-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 65228797
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
2-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pentanamide
CID 54946833
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide (CID 54946987) is 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide is CC(C)C(N)C(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is LBYLIJKXUJFYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)12(14)13(16)15(10(3)4)8-11-6-5-7-17-11/h5-7,9-10,12H,8,14H2,1-4H3.
What are the key properties of 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide?
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 54946987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).