3-(2,2-dimethylpropyl)thiomorpholine

C9H19NS — CID 58530439

IUPAC3-(2,2-dimethylpropyl)thiomorpholine
SMILESCC(C)(C)CC1CSCCN1
InChIInChI=1S/C9H19NS/c1-9(2,3)6-8-7-11-5-4-10-8/h8,10H,4-7H2,1-3H3
InChIKeyQYUHRFCEYOAUER-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds1

About 3-(2,2-dimethylpropyl)thiomorpholine

3-(2,2-dimethylpropyl)thiomorpholine (PubChem CID 58530439) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)thiomorpholine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)thiomorpholine
PubChem CID58530439
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(2,2-dimethylpropyl)thiomorpholine
SMILESCC(C)(C)CC1CSCCN1
InChIInChI=1S/C9H19NS/c1-9(2,3)6-8-7-11-5-4-10-8/h8,10H,4-7H2,1-3H3
InChIKeyQYUHRFCEYOAUER-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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Related Compounds

4-Tert-butylsulfanylpiperidine
CID 71778000
2-(1-Methylbutyl)-1,3-thiazinane
CID 3061408
4,4-dimethyl-N-(3,3,3-trifluoropropyl)thian-3-amine
CID 79947873
4,4-dimethyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79952286
5,5-dimethyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79955131
5,5-dimethyl-N-(3,3,3-trifluoropropyl)thian-3-amine
CID 79958006
3-(2-Fluoro-2-methylpropyl)thiomorpholine
CID 83816730
4,4-dimethyl-N-(4,4,4-trifluorobutan-2-yl)thian-3-amine
CID 105932059
5,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)thian-3-amine
CID 105932318
5,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)thian-3-amine
CID 106289846
5,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]thian-3-amine
CID 106427163
5,5-dimethyl-N-(5,5,5-trifluoropentyl)thian-3-amine
CID 113327056

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)thiomorpholine?
The IUPAC name of 3-(2,2-dimethylpropyl)thiomorpholine (CID 58530439) is 3-(2,2-dimethylpropyl)thiomorpholine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)thiomorpholine?
The canonical SMILES for 3-(2,2-dimethylpropyl)thiomorpholine is CC(C)(C)CC1CSCCN1.
What is the InChIKey of 3-(2,2-dimethylpropyl)thiomorpholine?
The InChIKey is QYUHRFCEYOAUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)6-8-7-11-5-4-10-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)thiomorpholine?
3-(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 3-(2,2-dimethylpropyl)thiomorpholine is sourced from PubChem (CID 58530439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).