(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide

C12H24N2O2S — CID 67949341

IUPAC(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide
SMILESC[C@H](SCCCN1CCOCC1)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2S/c1-11(12(15)13(2)3)17-10-4-5-14-6-8-16-9-7-14/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyJSYQBOHMJDVCNO-NSHDSACASA-N
MW260.40 g/mol
LogP0.92
Rot. Bonds6

About (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide

(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide (PubChem CID 67949341) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide
PubChem CID67949341
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide
SMILESC[C@H](SCCCN1CCOCC1)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2S/c1-11(12(15)13(2)3)17-10-4-5-14-6-8-16-9-7-14/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyJSYQBOHMJDVCNO-NSHDSACASA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-Dimethylmorpholin-4-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 45816513
1-(2,2-Dimethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819888
N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 75435205
N-methyl-2-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-ylpropanamide
CID 84592447
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 51099485
1-[2-(Fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
CID 126794051
4,4'-[Thiobis(1-oxo-3,1-propanediyl)]dimorpholine
CID 2179601
N,N-dimethyl-2-{4-[3-(methylthio)propanoyl]-2-morpholinyl}ethanamine
CID 45224386
1-(2-Ethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819811
1-(3-(Morpholinomethyl)-1,4-thiazepan-4-yl)propan-1-one
CID 71801846
2-Ethylsulfanyl-1-morpholin-4-ylethanone
CID 13539030
2-(1-Morpholin-4-ylethylsulfanyl)butanamide
CID 17925910

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide (CID 67949341) is (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide is C[C@H](SCCCN1CCOCC1)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide?
The InChIKey is JSYQBOHMJDVCNO-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(12(15)13(2)3)17-10-4-5-14-6-8-16-9-7-14/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide?
(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide has a molecular weight of 260.40 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide is sourced from PubChem (CID 67949341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).