(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide

C11H23N3OS — CID 106325399

IUPAC(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-2-3-10(12)11(15)13-4-5-14-6-8-16-9-7-14/h10H,2-9,12H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCFNOIKPKFIQRCT-JTQLQIEISA-N
MW245.39 g/mol
LogP0.28
Rot. Bonds6

About (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide

(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide (PubChem CID 106325399) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
PubChem CID106325399
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-2-3-10(12)11(15)13-4-5-14-6-8-16-9-7-14/h10H,2-9,12H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCFNOIKPKFIQRCT-JTQLQIEISA-N
XLogP0.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2-amino-N-propylpentanamide
CID 43649977
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
CID 119851060
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide (CID 106325399) is (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide is CCC[C@H](N)C(=O)NCCN1CCSCC1.
What is the InChIKey of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide?
The InChIKey is CFNOIKPKFIQRCT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3OS/c1-2-3-10(12)11(15)13-4-5-14-6-8-16-9-7-14/h10H,2-9,12H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide?
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide has a molecular weight of 245.39 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 106325399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).