2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide

C11H19N3OS — CID 106325478

IUPAC2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCCC(C#N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C11H19N3OS/c1-2-10(9-12)11(15)13-3-4-14-5-7-16-8-6-14/h10H,2-8H2,1H3,(H,13,15)
InChIKeyCDVDMNNRMWSWCB-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.70
Rot. Bonds5

About 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide

2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide (PubChem CID 106325478) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
PubChem CID106325478
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
SMILESCCC(C#N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C11H19N3OS/c1-2-10(9-12)11(15)13-3-4-14-5-7-16-8-6-14/h10H,2-8H2,1H3,(H,13,15)
InChIKeyCDVDMNNRMWSWCB-UHFFFAOYSA-N
XLogP0.70
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 106325470
3-[(2-thiomorpholin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 106326379
3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 114173784
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
2-methyl-3-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 114173902
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide?
The IUPAC name of 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide (CID 106325478) is 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide is CCC(C#N)C(=O)NCCN1CCSCC1.
What is the InChIKey of 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide?
The InChIKey is CDVDMNNRMWSWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-10(9-12)11(15)13-3-4-14-5-7-16-8-6-14/h10H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide?
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide has a molecular weight of 241.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide is sourced from PubChem (CID 106325478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).