3,3-dimethyl-4-propan-2-ylthiomorpholine

C9H19NS — CID 130717092

IUPAC3,3-dimethyl-4-propan-2-ylthiomorpholine
SMILESCC(C)N1CCSCC1(C)C
InChIInChI=1S/C9H19NS/c1-8(2)10-5-6-11-7-9(10,3)4/h8H,5-7H2,1-4H3
InChIKeyAIVDOFYJIWOFCD-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds1

About 3,3-dimethyl-4-propan-2-ylthiomorpholine

3,3-dimethyl-4-propan-2-ylthiomorpholine (PubChem CID 130717092) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-propan-2-ylthiomorpholine
PubChem CID130717092
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3,3-dimethyl-4-propan-2-ylthiomorpholine
SMILESCC(C)N1CCSCC1(C)C
InChIInChI=1S/C9H19NS/c1-8(2)10-5-6-11-7-9(10,3)4/h8H,5-7H2,1-4H3
InChIKeyAIVDOFYJIWOFCD-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylthiomorpholin-4-yl)methyl-trimethylsilane
CID 127013251
3,3-dimethyl-4-propylthiomorpholine
CID 130685619
3,3-dimethyl-4-methylsulfonylthiomorpholine
CID 130677346
2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone
CID 130688632
4-ethynyl-2,2-dimethyl-1-propan-2-ylpiperazine
CID 130399561
2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane
CID 139944450
tert-butyl 3,3-dimethylthiomorpholine-4-carboxylate
CID 67034878
(2R)-2-methyl-1,2-di(propan-2-yl)azetidine
CID 170383995
1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1,3-thiazolidine
CID 159748327
2-methyl-2,3-di(propan-2-yl)-1,3-oxazinane
CID 134572918
2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 15256959

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-propan-2-ylthiomorpholine?
The IUPAC name of 3,3-dimethyl-4-propan-2-ylthiomorpholine (CID 130717092) is 3,3-dimethyl-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 3,3-dimethyl-4-propan-2-ylthiomorpholine?
The canonical SMILES for 3,3-dimethyl-4-propan-2-ylthiomorpholine is CC(C)N1CCSCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-propan-2-ylthiomorpholine?
The InChIKey is AIVDOFYJIWOFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)10-5-6-11-7-9(10,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-propan-2-ylthiomorpholine?
3,3-dimethyl-4-propan-2-ylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 130717092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).