2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine

C9H20N2O2S2 — CID 66381979

IUPAC2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine
SMILESCC(CN)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S2/c1-8(5-10)6-11-3-4-14-7-9(11)15(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyBLHJFNBSVTXAMW-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.00
Rot. Bonds4

About 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine

2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine (PubChem CID 66381979) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine
PubChem CID66381979
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine
SMILESCC(CN)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S2/c1-8(5-10)6-11-3-4-14-7-9(11)15(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyBLHJFNBSVTXAMW-UHFFFAOYSA-N
XLogP0.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine (CID 66381979) is 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine is CC(CN)CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine?
The InChIKey is BLHJFNBSVTXAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-8(5-10)6-11-3-4-14-7-9(11)15(2,12)13/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine?
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 66381979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).