2-(2,2-dimethylpropyl)thiomorpholine

C9H19NS — CID 129276618

IUPAC2-(2,2-dimethylpropyl)thiomorpholine
SMILESCC(C)(C)CC1CNCCS1
InChIInChI=1S/C9H19NS/c1-9(2,3)6-8-7-10-4-5-11-8/h8,10H,4-7H2,1-3H3
InChIKeyRKCGOKGITRSGRC-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds1

About 2-(2,2-dimethylpropyl)thiomorpholine

2-(2,2-dimethylpropyl)thiomorpholine (PubChem CID 129276618) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)thiomorpholine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)thiomorpholine
PubChem CID129276618
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-(2,2-dimethylpropyl)thiomorpholine
SMILESCC(C)(C)CC1CNCCS1
InChIInChI=1S/C9H19NS/c1-9(2,3)6-8-7-10-4-5-11-8/h8,10H,4-7H2,1-3H3
InChIKeyRKCGOKGITRSGRC-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)thiomorpholine?
The IUPAC name of 2-(2,2-dimethylpropyl)thiomorpholine (CID 129276618) is 2-(2,2-dimethylpropyl)thiomorpholine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)thiomorpholine?
The canonical SMILES for 2-(2,2-dimethylpropyl)thiomorpholine is CC(C)(C)CC1CNCCS1.
What is the InChIKey of 2-(2,2-dimethylpropyl)thiomorpholine?
The InChIKey is RKCGOKGITRSGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)6-8-7-10-4-5-11-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)thiomorpholine?
2-(2,2-dimethylpropyl)thiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)thiomorpholine is sourced from PubChem (CID 129276618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).