4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione

C11H21NOS — CID 167288237

IUPAC4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione
SMILESCCCCC1C(CCC)OC(=S)N1C
InChIInChI=1S/C11H21NOS/c1-4-6-8-9-10(7-5-2)13-11(14)12(9)3/h9-10H,4-8H2,1-3H3
InChIKeyQDUJVLGJWHHBOW-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.96
Rot. Bonds5

About 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione

4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione (PubChem CID 167288237) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione
PubChem CID167288237
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione
SMILESCCCCC1C(CCC)OC(=S)N1C
InChIInChI=1S/C11H21NOS/c1-4-6-8-9-10(7-5-2)13-11(14)12(9)3/h9-10H,4-8H2,1-3H3
InChIKeyQDUJVLGJWHHBOW-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one
CID 138501046
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
1-methyl-5-pentylpyrrolidine-2-thione
CID 14765438
(3S,4S)-3-pentyl-4-propyloxetan-2-one
CID 86576801
5-ethyl-3-methyl-4-pentyl-1,3-thiazolidin-2-one
CID 167289002
3-butyloxiran-2-one
CID 18762090
3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
CID 144937454
4-butyl-3-methyloxetan-2-one
CID 173294472
(1R,4R,5R)-4-butyl-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 139260404
(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 15531680
1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527
4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione
CID 163991584

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione?
The IUPAC name of 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione (CID 167288237) is 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione is CCCCC1C(CCC)OC(=S)N1C.
What is the InChIKey of 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione?
The InChIKey is QDUJVLGJWHHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-6-8-9-10(7-5-2)13-11(14)12(9)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione?
4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione has a molecular weight of 215.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-5-propyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 167288237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).