1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine

C10H23NO3S — CID 64630109

IUPAC1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCCOC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)14-7-5-6-11-10(3)8-15(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyNMCDBEASMKDDJV-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.82
Rot. Bonds8

About 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine

1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine (PubChem CID 64630109) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine
PubChem CID64630109
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCCOC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)14-7-5-6-11-10(3)8-15(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyNMCDBEASMKDDJV-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine (CID 64630109) is 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine is CC(CS(C)(=O)=O)NCCCOC(C)C.
What is the InChIKey of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine?
The InChIKey is NMCDBEASMKDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)14-7-5-6-11-10(3)8-15(4,12)13/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine?
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine is sourced from PubChem (CID 64630109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).