3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine

C12H26N2O3S — CID 130426437

IUPAC3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine
SMILESCCC(C)(CC)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(3,5-2)13-6-11-18(15,16)14-7-9-17-10-8-14/h13H,4-11H2,1-3H3
InChIKeyJGDYCQNJJAMVRM-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds7

About 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine

3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine (PubChem CID 130426437) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine
PubChem CID130426437
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine
SMILESCCC(C)(CC)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(3,5-2)13-6-11-18(15,16)14-7-9-17-10-8-14/h13H,4-11H2,1-3H3
InChIKeyJGDYCQNJJAMVRM-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine (CID 130426437) is 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine is CCC(C)(CC)NCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine?
The InChIKey is JGDYCQNJJAMVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(3,5-2)13-6-11-18(15,16)14-7-9-17-10-8-14/h13H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine?
3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine has a molecular weight of 278.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylsulfonylethyl)pentan-3-amine is sourced from PubChem (CID 130426437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).