(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide

C16H25N3OS — CID 99830009

IUPAC(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
SMILESCCCNc1ccccc1NC(=O)[C@H](C)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-3-8-17-14-6-4-5-7-15(14)18-16(20)13(2)19-9-11-21-12-10-19/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyBMRAMEBYBKBDNL-ZDUSSCGKSA-N
MW307.46 g/mol
LogP2.88
Rot. Bonds6

About (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide

(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 99830009) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID99830009
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
SMILESCCCNc1ccccc1NC(=O)[C@H](C)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-3-8-17-14-6-4-5-7-15(14)18-16(20)13(2)19-9-11-21-12-10-19/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyBMRAMEBYBKBDNL-ZDUSSCGKSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
2-methyl-3-oxo-3-[2-(propylamino)anilino]propanoic acid
CID 122065819
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
CID 97249140
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
CID 102562893
N-(3-amino-2-methylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 61418715
N-hydroxy-2-thiomorpholin-4-ylpropanamide
CID 130625888
(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[2-(propylamino)phenyl]propanamide
CID 99795225
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
(2R)-2-(oxan-4-yl)-N-[2-(propylamino)phenyl]propanamide
CID 99795233
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide (CID 99830009) is (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide is CCCNc1ccccc1NC(=O)[C@H](C)N1CCSCC1.
What is the InChIKey of (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is BMRAMEBYBKBDNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-8-17-14-6-4-5-7-15(14)18-16(20)13(2)19-9-11-21-12-10-19/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide?
(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 307.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 99830009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).