3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide

C12H25N3OS — CID 114173784

IUPAC3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCCNC(C)CC(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-3-13-11(2)10-12(16)14-4-5-15-6-8-17-9-7-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyAQGYOSDWIBVDCA-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.54
Rot. Bonds7

About 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide

3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide (PubChem CID 114173784) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
PubChem CID114173784
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCCNC(C)CC(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-3-13-11(2)10-12(16)14-4-5-15-6-8-17-9-7-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyAQGYOSDWIBVDCA-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

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Related Compounds

3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
N-butyl-3-(ethylamino)butanamide
CID 62838234
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 114173902
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173928
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
3-[(2-thiomorpholin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 106326379

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide (CID 114173784) is 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide is CCNC(C)CC(=O)NCCN1CCSCC1.
What is the InChIKey of 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide?
The InChIKey is AQGYOSDWIBVDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-3-13-11(2)10-12(16)14-4-5-15-6-8-17-9-7-15/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide?
3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide 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 3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide is sourced from PubChem (CID 114173784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).