N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine

C8H18N2O3S — CID 83009723

IUPACN-(1-methylsulfonylpropan-2-yl)morpholin-4-amine
SMILESCC(CS(C)(=O)=O)NN1CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-8(7-14(2,11)12)9-10-3-5-13-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyWZKDHMGCVRRJPK-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.74
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine

N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine (PubChem CID 83009723) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)morpholin-4-amine
PubChem CID83009723
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(1-methylsulfonylpropan-2-yl)morpholin-4-amine
SMILESCC(CS(C)(=O)=O)NN1CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-8(7-14(2,11)12)9-10-3-5-13-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyWZKDHMGCVRRJPK-UHFFFAOYSA-N
XLogP-0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine (CID 83009723) is N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine is CC(CS(C)(=O)=O)NN1CCOCC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine?
The InChIKey is WZKDHMGCVRRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(7-14(2,11)12)9-10-3-5-13-6-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine?
N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine has a molecular weight of 222.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)morpholin-4-amine is sourced from PubChem (CID 83009723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).