N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide

C12H25N3OS — CID 106325729

IUPACN-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESCC(C)NC(=O)CCNCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-11(2)14-12(16)3-4-13-5-6-15-7-9-17-10-8-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyOVFIIKRWFANUDH-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.54
Rot. Bonds7

About N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide

N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide (PubChem CID 106325729) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
PubChem CID106325729
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESCC(C)NC(=O)CCNCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-11(2)14-12(16)3-4-13-5-6-15-7-9-17-10-8-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyOVFIIKRWFANUDH-UHFFFAOYSA-N
XLogP0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242
N-[2-(3-methylbutylamino)ethyl]-3-[4-[3-oxo-3-(propan-2-ylamino)propyl]piperazin-1-yl]propanamide
CID 167209873
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173928
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 114173902
N-cyclopropyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325201
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
N-ethyl-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419848
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95338932

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide?
The IUPAC name of N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide (CID 106325729) is N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide is CC(C)NC(=O)CCNCCN1CCSCC1.
What is the InChIKey of N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide?
The InChIKey is OVFIIKRWFANUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-11(2)14-12(16)3-4-13-5-6-15-7-9-17-10-8-15/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide?
N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide has a molecular weight of 259.42 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 106325729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).