2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide

C12H24N2OS — CID 129181027

IUPAC2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide
SMILESCCC(C)C(=O)NCCCN1CCSCC1
InChIInChI=1S/C12H24N2OS/c1-3-11(2)12(15)13-5-4-6-14-7-9-16-10-8-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyHSNHEXNCJIBTBM-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.59
Rot. Bonds6

About 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide

2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide (PubChem CID 129181027) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide
PubChem CID129181027
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide
SMILESCCC(C)C(=O)NCCCN1CCSCC1
InChIInChI=1S/C12H24N2OS/c1-3-11(2)12(15)13-5-4-6-14-7-9-16-10-8-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyHSNHEXNCJIBTBM-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
N-[2-[4-(3-methylbutyl)-2,3-dioxopiperazin-1-yl]ethyl]-2-methylsulfanylpropanamide
CID 129076723
3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide
CID 134387123
N-(3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl)acetamide
CID 53518579
2-(Aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one
CID 86814201
N-(2-methylpropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66421853
N-[(1-methylpiperidin-3-yl)methyl]-2-(propylthio)acetamide
CID 56712573
N-[2-(ethylthio)-1-methylethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropan-1-amine
CID 56721562
N-methyl-2-{1-[3-(methylthio)butyl]piperidin-4-yl}acetamide
CID 56722681
S-(2-methyl-3-oxo-3-piperazin-1-ylpropyl) ethanethioate
CID 17778075
2-Propan-2-ylthiomorpholin-3-one
CID 21152815
3-Methyl-1-(1-methylthiomorpholin-1-ium-4-yl)butan-1-one
CID 21345370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide?
The IUPAC name of 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide (CID 129181027) is 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide?
The canonical SMILES for 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide is CCC(C)C(=O)NCCCN1CCSCC1.
What is the InChIKey of 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide?
The InChIKey is HSNHEXNCJIBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-11(2)12(15)13-5-4-6-14-7-9-16-10-8-14/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide?
2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide has a molecular weight of 244.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 129181027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).