6-methylsulfonyl-1-propoxyhexan-3-amine

C10H23NO3S — CID 105113081

IUPAC6-methylsulfonyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-3-7-14-8-6-10(11)5-4-9-15(2,12)13/h10H,3-9,11H2,1-2H3
InChIKeyYKTAAIGTKZIFAH-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.96
Rot. Bonds9

About 6-methylsulfonyl-1-propoxyhexan-3-amine

6-methylsulfonyl-1-propoxyhexan-3-amine (PubChem CID 105113081) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 6-methylsulfonyl-1-propoxyhexan-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-1-propoxyhexan-3-amine
PubChem CID105113081
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name6-methylsulfonyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-3-7-14-8-6-10(11)5-4-9-15(2,12)13/h10H,3-9,11H2,1-2H3
InChIKeyYKTAAIGTKZIFAH-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 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 ≤ 50.96
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-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
6-ethoxy-1-methylsulfonylhexan-3-amine
CID 114984300
1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
1-methylsulfonylnonan-3-amine
CID 115848427
1-methylsulfonyldodecan-3-amine
CID 115848423
6-methylsulfonyl-1-phenoxyhexan-3-amine
CID 63192307
3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
1-methylsulfonyl-3-(3-methylsulfonylpropoxy)propane
CID 91149824
4-ethoxy-1-methylsulfonylbutan-2-amine
CID 114997362
6-ethylsulfonyl-1-propoxyhexan-3-ol
CID 105101770
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-propoxyhexan-3-amine?
The IUPAC name of 6-methylsulfonyl-1-propoxyhexan-3-amine (CID 105113081) is 6-methylsulfonyl-1-propoxyhexan-3-amine.
What is the SMILES notation for 6-methylsulfonyl-1-propoxyhexan-3-amine?
The canonical SMILES for 6-methylsulfonyl-1-propoxyhexan-3-amine is CCCOCCC(N)CCCS(C)(=O)=O.
What is the InChIKey of 6-methylsulfonyl-1-propoxyhexan-3-amine?
The InChIKey is YKTAAIGTKZIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-7-14-8-6-10(11)5-4-9-15(2,12)13/h10H,3-9,11H2,1-2H3.
What are the key properties of 6-methylsulfonyl-1-propoxyhexan-3-amine?
6-methylsulfonyl-1-propoxyhexan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-propoxyhexan-3-amine is sourced from PubChem (CID 105113081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).