[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone

C14H20N2OS — CID 62165925

IUPAC[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
SMILESCCCNc1ccccc1C(=O)N1CCSCC1
InChIInChI=1S/C14H20N2OS/c1-2-7-15-13-6-4-3-5-12(13)14(17)16-8-10-18-11-9-16/h3-6,15H,2,7-11H2,1H3
InChIKeyBBSRYDJGSRMUQV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.70
Rot. Bonds4

About [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone

[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone (PubChem CID 62165925) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
PubChem CID62165925
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
SMILESCCCNc1ccccc1C(=O)N1CCSCC1
InChIInChI=1S/C14H20N2OS/c1-2-7-15-13-6-4-3-5-12(13)14(17)16-8-10-18-11-9-16/h3-6,15H,2,7-11H2,1H3
InChIKeyBBSRYDJGSRMUQV-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
CID 63605316
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
2-[2-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 86930964
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 99830009
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
[4-nitro-3-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62682843
[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
CID 50953270
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104

Frequently Asked Questions

What is the IUPAC name of [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone (CID 62165925) is [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone is CCCNc1ccccc1C(=O)N1CCSCC1.
What is the InChIKey of [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone?
The InChIKey is BBSRYDJGSRMUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-7-15-13-6-4-3-5-12(13)14(17)16-8-10-18-11-9-16/h3-6,15H,2,7-11H2,1H3.
What are the key properties of [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone?
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone has a molecular weight of 264.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 62165925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).