4-(2,2-dimethylpropyl)thiomorpholine

C9H19NS — CID 21060397

IUPAC4-(2,2-dimethylpropyl)thiomorpholine
SMILESCC(C)(C)CN1CCSCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)8-10-4-6-11-7-5-10/h4-8H2,1-3H3
InChIKeyBKCWWUHGNNDYLA-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds1

About 4-(2,2-dimethylpropyl)thiomorpholine

4-(2,2-dimethylpropyl)thiomorpholine (PubChem CID 21060397) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)thiomorpholine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)thiomorpholine
PubChem CID21060397
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-(2,2-dimethylpropyl)thiomorpholine
SMILESCC(C)(C)CN1CCSCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)8-10-4-6-11-7-5-10/h4-8H2,1-3H3
InChIKeyBKCWWUHGNNDYLA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)thiomorpholine?
The IUPAC name of 4-(2,2-dimethylpropyl)thiomorpholine (CID 21060397) is 4-(2,2-dimethylpropyl)thiomorpholine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)thiomorpholine?
The canonical SMILES for 4-(2,2-dimethylpropyl)thiomorpholine is CC(C)(C)CN1CCSCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)thiomorpholine?
The InChIKey is BKCWWUHGNNDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)8-10-4-6-11-7-5-10/h4-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)thiomorpholine?
4-(2,2-dimethylpropyl)thiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)thiomorpholine is sourced from PubChem (CID 21060397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).