3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one

C10H19NO2S — CID 86996424

IUPAC3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(C)OCCC(=O)N1CCSCC1
InChIInChI=1S/C10H19NO2S/c1-9(2)13-6-3-10(12)11-4-7-14-8-5-11/h9H,3-8H2,1-2H3
InChIKeyJPFAMIRCTUGENS-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.38
Rot. Bonds4

About 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one

3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 86996424) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
PubChem CID86996424
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(C)OCCC(=O)N1CCSCC1
InChIInChI=1S/C10H19NO2S/c1-9(2)13-6-3-10(12)11-4-7-14-8-5-11/h9H,3-8H2,1-2H3
InChIKeyJPFAMIRCTUGENS-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
CID 60851819
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
1-(4-butan-2-ylpiperazin-1-yl)-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propan-1-one
CID 156819721
N-cyclopropyl-2-[4-(3-propan-2-yloxypropanoyl)piperazin-1-yl]acetamide
CID 86929481
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
1-(1,4-thiazepan-4-yl)butan-1-one
CID 60774029
(3S,4S)-4-methyl-1-(3-propan-2-yloxypropanoyl)pyrrolidine-3-carboxylic acid
CID 120953277
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683120

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one (CID 86996424) is 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one is CC(C)OCCC(=O)N1CCSCC1.
What is the InChIKey of 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is JPFAMIRCTUGENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)13-6-3-10(12)11-4-7-14-8-5-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one?
3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 217.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 86996424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).