4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one

C11H22N2OS — CID 60851819

IUPAC4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(C)NCCCC(=O)N1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-10(2)12-5-3-4-11(14)13-6-8-15-9-7-13/h10,12H,3-9H2,1-2H3
InChIKeySQNVBHAWQXYDHS-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds5

About 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one

4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 60851819) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
PubChem CID60851819
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(C)NCCCC(=O)N1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-10(2)12-5-3-4-11(14)13-6-8-15-9-7-13/h10,12H,3-9H2,1-2H3
InChIKeySQNVBHAWQXYDHS-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 60849367
ethyl 4-[4-(propan-2-ylamino)butanoyl]piperazine-1-carboxylate
CID 61041311
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 102743692
4-(propan-2-ylamino)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 55215249
1-(3,4-dimethylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 63633329
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one (CID 60851819) is 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one is CC(C)NCCCC(=O)N1CCSCC1.
What is the InChIKey of 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is SQNVBHAWQXYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2)12-5-3-4-11(14)13-6-8-15-9-7-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one?
4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 60851819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).