3,3-dimethyl-5-propylthiomorpholine

C9H19NS — CID 66229002

IUPAC3,3-dimethyl-5-propylthiomorpholine
SMILESCCCC1CSCC(C)(C)N1
InChIInChI=1S/C9H19NS/c1-4-5-8-6-11-7-9(2,3)10-8/h8,10H,4-7H2,1-3H3
InChIKeyWULCHQRCAJZUFJ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.27
Rot. Bonds2

About 3,3-dimethyl-5-propylthiomorpholine

3,3-dimethyl-5-propylthiomorpholine (PubChem CID 66229002) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-propylthiomorpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-propylthiomorpholine
PubChem CID66229002
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3,3-dimethyl-5-propylthiomorpholine
SMILESCCCC1CSCC(C)(C)N1
InChIInChI=1S/C9H19NS/c1-4-5-8-6-11-7-9(2,3)10-8/h8,10H,4-7H2,1-3H3
InChIKeyWULCHQRCAJZUFJ-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methoxymethyl)-3,3-dimethylthiomorpholine
CID 107511181
5-(2-ethoxyphenyl)-3,3-dimethylthiomorpholine
CID 66229689
2-heptyl-4,4-dimethyl-1,3-thiazolidine
CID 66229686
2-propylaziridine
CID 544792
3,3-dimethyl-5-(5-methylfuran-2-yl)thiomorpholine
CID 66230863
6,6-dimethyl-2-propyl-1,4-diazepane
CID 67417881
(2R)-2,5-dipropylpyrrolidine
CID 143543976
6-propyl-5-azaspiro[2.4]heptane
CID 144802618
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propylthiomorpholine?
The IUPAC name of 3,3-dimethyl-5-propylthiomorpholine (CID 66229002) is 3,3-dimethyl-5-propylthiomorpholine.
What is the SMILES notation for 3,3-dimethyl-5-propylthiomorpholine?
The canonical SMILES for 3,3-dimethyl-5-propylthiomorpholine is CCCC1CSCC(C)(C)N1.
What is the InChIKey of 3,3-dimethyl-5-propylthiomorpholine?
The InChIKey is WULCHQRCAJZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-8-6-11-7-9(2,3)10-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-propylthiomorpholine?
3,3-dimethyl-5-propylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propylthiomorpholine is sourced from PubChem (CID 66229002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).