2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide

C13H25N3O2S — CID 119862763

IUPAC2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
SMILESCC(C)(N)C(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C13H25N3O2S/c1-12(2,14)11(17)15-9-13(3-8-19-10-13)16-4-6-18-7-5-16/h3-10,14H2,1-2H3,(H,15,17)
InChIKeyRYMBRYTVFWIQHZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.05
Rot. Bonds4

About 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide

2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide (PubChem CID 119862763) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
PubChem CID119862763
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
SMILESCC(C)(N)C(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C13H25N3O2S/c1-12(2,14)11(17)15-9-13(3-8-19-10-13)16-4-6-18-7-5-16/h3-10,14H2,1-2H3,(H,15,17)
InChIKeyRYMBRYTVFWIQHZ-UHFFFAOYSA-N
XLogP0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
CID 120595904
1-tert-butyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47056037
2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
CID 120669899
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide (CID 119862763) is 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide is CC(C)(N)C(=O)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The InChIKey is RYMBRYTVFWIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12(2,14)11(17)15-9-13(3-8-19-10-13)16-4-6-18-7-5-16/h3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide has a molecular weight of 287.43 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide is sourced from PubChem (CID 119862763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).