(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide

C16H25N3OS — CID 97329791

IUPAC(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide
SMILESC[C@H](C(=O)NC[C@H](C)Nc1ccccc1)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-13(18-15-6-4-3-5-7-15)12-17-16(20)14(2)19-8-10-21-11-9-19/h3-7,13-14,18H,8-12H2,1-2H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyZXMXJOFNDAWYDD-UONOGXRCSA-N
MW307.46 g/mol
LogP2.04
Rot. Bonds6

About (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide

(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 97329791) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID97329791
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide
SMILESC[C@H](C(=O)NC[C@H](C)Nc1ccccc1)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-13(18-15-6-4-3-5-7-15)12-17-16(20)14(2)19-8-10-21-11-9-19/h3-7,13-14,18H,8-12H2,1-2H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyZXMXJOFNDAWYDD-UONOGXRCSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide (CID 97329791) is (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide is C[C@H](C(=O)NC[C@H](C)Nc1ccccc1)N1CCSCC1.
What is the InChIKey of (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is ZXMXJOFNDAWYDD-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13(18-15-6-4-3-5-7-15)12-17-16(20)14(2)19-8-10-21-11-9-19/h3-7,13-14,18H,8-12H2,1-2H3,(H,17,20)/t13-,14+/m0/s1.
What are the key properties of (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide?
(2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 307.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-anilinopropyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 97329791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).