3-methyl-2-propan-2-ylthiomorpholine

C8H17NS — CID 45096106

IUPAC3-methyl-2-propan-2-ylthiomorpholine
SMILESCC(C)C1SCCNC1C
InChIInChI=1S/C8H17NS/c1-6(2)8-7(3)9-4-5-10-8/h6-9H,4-5H2,1-3H3
InChIKeyRHWZKJVYLGIUPR-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds1

About 3-methyl-2-propan-2-ylthiomorpholine

3-methyl-2-propan-2-ylthiomorpholine (PubChem CID 45096106) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylthiomorpholine
PubChem CID45096106
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-methyl-2-propan-2-ylthiomorpholine
SMILESCC(C)C1SCCNC1C
InChIInChI=1S/C8H17NS/c1-6(2)8-7(3)9-4-5-10-8/h6-9H,4-5H2,1-3H3
InChIKeyRHWZKJVYLGIUPR-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
CID 46941523
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88623012
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407
3-[(Methylsulfanyl)methyl]piperidine hydrochloride
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2-(Propan-2-yl)thiomorpholine
CID 56807259
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
4-(Tert-butylsulfanyl)piperidine hydrochloride
CID 72716464
Methyl[(thian-3-yl)methyl]amine hydrochloride
CID 165977447
1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 21576654
2,2,3-Trimethyl-thiomorpholin
CID 21022309
3-Isopropylthiomorpholine
CID 55288486

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylthiomorpholine?
The IUPAC name of 3-methyl-2-propan-2-ylthiomorpholine (CID 45096106) is 3-methyl-2-propan-2-ylthiomorpholine.
What is the SMILES notation for 3-methyl-2-propan-2-ylthiomorpholine?
The canonical SMILES for 3-methyl-2-propan-2-ylthiomorpholine is CC(C)C1SCCNC1C.
What is the InChIKey of 3-methyl-2-propan-2-ylthiomorpholine?
The InChIKey is RHWZKJVYLGIUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6(2)8-7(3)9-4-5-10-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-ylthiomorpholine?
3-methyl-2-propan-2-ylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylthiomorpholine is sourced from PubChem (CID 45096106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).