2-methyl-4-propan-2-ylthiomorpholine

C8H17NS — CID 127282712

IUPAC2-methyl-4-propan-2-ylthiomorpholine
SMILESCC1CN(C(C)C)CCS1
InChIInChI=1S/C8H17NS/c1-7(2)9-4-5-10-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyJBYXDSIOQTXXHP-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About 2-methyl-4-propan-2-ylthiomorpholine

2-methyl-4-propan-2-ylthiomorpholine (PubChem CID 127282712) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylthiomorpholine
PubChem CID127282712
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-4-propan-2-ylthiomorpholine
SMILESCC1CN(C(C)C)CCS1
InChIInChI=1S/C8H17NS/c1-7(2)9-4-5-10-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyJBYXDSIOQTXXHP-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,4-di(propan-2-yl)thiomorpholine
CID 170688101
(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide
CID 140959042
N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
CID 103227271
2-chloro-1-(2-methylthiomorpholin-4-yl)propan-1-one
CID 115879882
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
3-amino-1-(2-methylthiomorpholin-4-yl)butan-1-one
CID 115739172
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylthiomorpholine?
The IUPAC name of 2-methyl-4-propan-2-ylthiomorpholine (CID 127282712) is 2-methyl-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 2-methyl-4-propan-2-ylthiomorpholine?
The canonical SMILES for 2-methyl-4-propan-2-ylthiomorpholine is CC1CN(C(C)C)CCS1.
What is the InChIKey of 2-methyl-4-propan-2-ylthiomorpholine?
The InChIKey is JBYXDSIOQTXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9-4-5-10-8(3)6-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylthiomorpholine?
2-methyl-4-propan-2-ylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 127282712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).