ethane;4-propan-2-ylthiomorpholin-3-one

C9H19NOS — CID 143160697

IUPACethane;4-propan-2-ylthiomorpholin-3-one
SMILESCC.CC(C)N1CCSCC1=O
InChIInChI=1S/C7H13NOS.C2H6/c1-6(2)8-3-4-10-5-7(8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyDPLSRPYANSBOKU-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.00
Rot. Bonds1

About ethane;4-propan-2-ylthiomorpholin-3-one

ethane;4-propan-2-ylthiomorpholin-3-one (PubChem CID 143160697) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;4-propan-2-ylthiomorpholin-3-one.

Molecular Properties

Compound Nameethane;4-propan-2-ylthiomorpholin-3-one
PubChem CID143160697
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Nameethane;4-propan-2-ylthiomorpholin-3-one
SMILESCC.CC(C)N1CCSCC1=O
InChIInChI=1S/C7H13NOS.C2H6/c1-6(2)8-3-4-10-5-7(8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyDPLSRPYANSBOKU-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylidene-4-propan-2-ylthiomorpholine
CID 143160741
ethane;2-methylpropane;3-propan-2-yl-1,3-thiazolidin-2-one
CID 159406696
4-acetylthiomorpholin-3-one
CID 173081761
4-propylthiomorpholin-3-one
CID 56979350
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-propan-2-ylazonan-2-one
CID 101216305
1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
CID 157428700
4-(dimethylamino)-1-propan-2-ylpiperidin-2-one
CID 149452185
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
4-propan-2-yl-1,4-oxazepan-3-one
CID 58320691
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013
2-(3-oxothiomorpholin-4-yl)acetic acid
CID 13245541

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylthiomorpholin-3-one?
The IUPAC name of ethane;4-propan-2-ylthiomorpholin-3-one (CID 143160697) is ethane;4-propan-2-ylthiomorpholin-3-one.
What is the SMILES notation for ethane;4-propan-2-ylthiomorpholin-3-one?
The canonical SMILES for ethane;4-propan-2-ylthiomorpholin-3-one is CC.CC(C)N1CCSCC1=O.
What is the InChIKey of ethane;4-propan-2-ylthiomorpholin-3-one?
The InChIKey is DPLSRPYANSBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS.C2H6/c1-6(2)8-3-4-10-5-7(8)9;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-ylthiomorpholin-3-one?
ethane;4-propan-2-ylthiomorpholin-3-one has a molecular weight of 189.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylthiomorpholin-3-one is sourced from PubChem (CID 143160697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).