2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine

C13H26N2OS — CID 66290127

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(CSCC2CNC2)C1
InChIInChI=1S/C13H26N2OS/c1-11(2)7-15-3-4-16-13(8-15)10-17-9-12-5-14-6-12/h11-14H,3-10H2,1-2H3
InChIKeyNAHIGKJQSNSTGF-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.30
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine

2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine (PubChem CID 66290127) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
PubChem CID66290127
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(CSCC2CNC2)C1
InChIInChI=1S/C13H26N2OS/c1-11(2)7-15-3-4-16-13(8-15)10-17-9-12-5-14-6-12/h11-14H,3-10H2,1-2H3
InChIKeyNAHIGKJQSNSTGF-UHFFFAOYSA-N
XLogP1.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine
CID 79171179
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 9377017
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 79172249
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468544
2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
CID 79146285

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine (CID 66290127) is 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine is CC(C)CN1CCOC(CSCC2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine?
The InChIKey is NAHIGKJQSNSTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-11(2)7-15-3-4-16-13(8-15)10-17-9-12-5-14-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine?
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine has a molecular weight of 258.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 66290127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).