2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide

C11H23N3OS — CID 103813658

IUPAC2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCC(C)C(N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-9(2)10(12)11(15)13-3-4-14-5-7-16-8-6-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyBJYHQMLESOQFGK-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.13
Rot. Bonds5

About 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide

2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide (PubChem CID 103813658) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
PubChem CID103813658
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCC(C)C(N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-9(2)10(12)11(15)13-3-4-14-5-7-16-8-6-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyBJYHQMLESOQFGK-UHFFFAOYSA-N
XLogP0.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 119853604
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 114173902
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide (CID 103813658) is 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide is CC(C)C(N)C(=O)NCCN1CCSCC1.
What is the InChIKey of 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide?
The InChIKey is BJYHQMLESOQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-9(2)10(12)11(15)13-3-4-14-5-7-16-8-6-14/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide?
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide has a molecular weight of 245.39 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide is sourced from PubChem (CID 103813658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).