3,3-dimethyl-4-propylthiomorpholine

C9H19NS — CID 130685619

IUPAC3,3-dimethyl-4-propylthiomorpholine
SMILESCCCN1CCSCC1(C)C
InChIInChI=1S/C9H19NS/c1-4-5-10-6-7-11-8-9(10,2)3/h4-8H2,1-3H3
InChIKeyYFNQBJDWRGVGSY-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds2

About 3,3-dimethyl-4-propylthiomorpholine

3,3-dimethyl-4-propylthiomorpholine (PubChem CID 130685619) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-propylthiomorpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-propylthiomorpholine
PubChem CID130685619
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3,3-dimethyl-4-propylthiomorpholine
SMILESCCCN1CCSCC1(C)C
InChIInChI=1S/C9H19NS/c1-4-5-10-6-7-11-8-9(10,2)3/h4-8H2,1-3H3
InChIKeyYFNQBJDWRGVGSY-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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
4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine
CID 99799922
3,3-dimethyl-4-propan-2-ylthiomorpholine
CID 130717092
1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone
CID 130688632
3,3-dimethyl-4-methylsulfonylthiomorpholine
CID 130677346
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237
[4,4-dimethyl-3-(4-propylpiperazin-1-yl)thian-3-yl]methanamine
CID 79948632
4-propylthiomorpholin-3-one
CID 56979350
5-propyl-5-azaspiro[3.4]octane
CID 131103663
5,5-dipropyl-1,3-dithiane
CID 89275819
N-(cyanomethyl)-N-(3,3-dimethylthiomorpholin-4-yl)nitrous amide
CID 22363312
(3-ethylthiolan-3-yl)methanol
CID 146230443

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-propylthiomorpholine?
The IUPAC name of 3,3-dimethyl-4-propylthiomorpholine (CID 130685619) is 3,3-dimethyl-4-propylthiomorpholine.
What is the SMILES notation for 3,3-dimethyl-4-propylthiomorpholine?
The canonical SMILES for 3,3-dimethyl-4-propylthiomorpholine is CCCN1CCSCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-propylthiomorpholine?
The InChIKey is YFNQBJDWRGVGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-10-6-7-11-8-9(10,2)3/h4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-propylthiomorpholine?
3,3-dimethyl-4-propylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-propylthiomorpholine is sourced from PubChem (CID 130685619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).