1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine

C13H28N2O3S — CID 79092505

IUPAC1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CN(C)CCO1
InChIInChI=1S/C13H28N2O3S/c1-4-7-14-12(6-5-10-19(3,16)17)13-11-15(2)8-9-18-13/h12-14H,4-11H2,1-3H3
InChIKeyVCVMXTDTVWOGCO-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.51
Rot. Bonds8

About 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine

1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 79092505) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID79092505
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1CN(C)CCO1
InChIInChI=1S/C13H28N2O3S/c1-4-7-14-12(6-5-10-19(3,16)17)13-11-15(2)8-9-18-13/h12-14H,4-11H2,1-3H3
InChIKeyVCVMXTDTVWOGCO-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
CID 115517290
1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol
CID 79087192
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
CID 79093470
N-ethyl-1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79092487
N-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 79093239
N-ethyl-5-methyl-1-(4-methylmorpholin-2-yl)hexan-1-amine
CID 83160848
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820353
N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine
CID 79669032

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine (CID 79092505) is 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)C1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is VCVMXTDTVWOGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-7-14-12(6-5-10-19(3,16)17)13-11-15(2)8-9-18-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 79092505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).