1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine

C10H23NO3S — CID 105113116

IUPAC1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine
SMILESCCOCCC(CCCS(C)(=O)=O)NC
InChIInChI=1S/C10H23NO3S/c1-4-14-8-7-10(11-2)6-5-9-15(3,12)13/h10-11H,4-9H2,1-3H3
InChIKeyBMZQQFQMGSIAHC-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.83
Rot. Bonds9

About 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine

1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine (PubChem CID 105113116) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine
PubChem CID105113116
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine
SMILESCCOCCC(CCCS(C)(=O)=O)NC
InChIInChI=1S/C10H23NO3S/c1-4-14-8-7-10(11-2)6-5-9-15(3,12)13/h10-11H,4-9H2,1-3H3
InChIKeyBMZQQFQMGSIAHC-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.83
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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Related Compounds

1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
N-methyl-1-methylsulfonylheptan-3-amine
CID 79405764
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
CID 115820781
5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
CID 115646738
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
6-ethoxy-1-methylsulfonylhexan-3-amine
CID 114984300
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
6-ethoxy-1-methoxy-N-methylhexan-2-amine
CID 65180928
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
1-ethoxy-N-methylnon-8-en-4-amine
CID 105153065

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine?
The IUPAC name of 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine (CID 105113116) is 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine?
The canonical SMILES for 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine is CCOCCC(CCCS(C)(=O)=O)NC.
What is the InChIKey of 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine?
The InChIKey is BMZQQFQMGSIAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-14-8-7-10(11-2)6-5-9-15(3,12)13/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine?
1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 105113116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).