N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine

C11H24N2O3S — CID 106725865

IUPACN-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24N2O3S/c1-10(2)17(14,15)7-5-13-4-6-16-9-11(13)8-12-3/h10-12H,4-9H2,1-3H3
InChIKeyHLTGAAMCHONQSS-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.27
Rot. Bonds6

About N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine

N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine (PubChem CID 106725865) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine
PubChem CID106725865
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H24N2O3S/c1-10(2)17(14,15)7-5-13-4-6-16-9-11(13)8-12-3/h10-12H,4-9H2,1-3H3
InChIKeyHLTGAAMCHONQSS-UHFFFAOYSA-N
XLogP-0.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine (CID 106725865) is N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine is CNCC1COCCN1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine?
The InChIKey is HLTGAAMCHONQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)17(14,15)7-5-13-4-6-16-9-11(13)8-12-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine has a molecular weight of 264.39 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine is sourced from PubChem (CID 106725865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).