2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine

C10H22N2OS — CID 103152569

IUPAC2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
SMILESCOC(CN)CCN1CCSCC1C
InChIInChI=1S/C10H22N2OS/c1-9-8-14-6-5-12(9)4-3-10(7-11)13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyBZSBSEGFUSAWHS-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.79
Rot. Bonds5

About 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine

2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine (PubChem CID 103152569) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
PubChem CID103152569
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine
SMILESCOC(CN)CCN1CCSCC1C
InChIInChI=1S/C10H22N2OS/c1-9-8-14-6-5-12(9)4-3-10(7-11)13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyBZSBSEGFUSAWHS-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 106114859
5-(3-methylthiomorpholin-4-yl)-3-(trifluoromethyl)pentan-1-amine
CID 112737928
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
CID 103152536
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
CID 103152801
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
CID 103152342
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
2,5-dimethoxyhexane-1,6-diamine
CID 141495487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine?
The IUPAC name of 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine (CID 103152569) is 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine is COC(CN)CCN1CCSCC1C.
What is the InChIKey of 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine?
The InChIKey is BZSBSEGFUSAWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9-8-14-6-5-12(9)4-3-10(7-11)13-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine?
2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine has a molecular weight of 218.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methylthiomorpholin-4-yl)butan-1-amine is sourced from PubChem (CID 103152569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).