6-ethoxy-1-methylsulfonylhexan-3-amine

C9H21NO3S — CID 114984300

IUPAC6-ethoxy-1-methylsulfonylhexan-3-amine
SMILESCCOCCCC(N)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-13-7-4-5-9(10)6-8-14(2,11)12/h9H,3-8,10H2,1-2H3
InChIKeyCSRJRRNMBTZRNA-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.57
Rot. Bonds8

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

6-ethoxy-1-methylsulfonylhexan-3-amine (PubChem CID 114984300) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-ethoxy-1-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name6-ethoxy-1-methylsulfonylhexan-3-amine
PubChem CID114984300
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name6-ethoxy-1-methylsulfonylhexan-3-amine
SMILESCCOCCCC(N)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-13-7-4-5-9(10)6-8-14(2,11)12/h9H,3-8,10H2,1-2H3
InChIKeyCSRJRRNMBTZRNA-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.57
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-methylsulfonylnonan-3-amine
CID 115848427
1-methylsulfonyldodecan-3-amine
CID 115848423
1-ethoxynonan-4-amine
CID 105129941
6-methylsulfonyl-1-propoxyhexan-3-amine
CID 105113081
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
4-ethoxy-1-methylsulfonylbutan-2-amine
CID 114997362
1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
CID 63690929
1-ethoxy-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113116
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
8-ethoxyoctyl methanesulfonate
CID 139711328
5-methyl-1-methylsulfonylheptan-3-amine
CID 115848498

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methylsulfonylhexan-3-amine?
The IUPAC name of 6-ethoxy-1-methylsulfonylhexan-3-amine (CID 114984300) is 6-ethoxy-1-methylsulfonylhexan-3-amine.
What is the SMILES notation for 6-ethoxy-1-methylsulfonylhexan-3-amine?
The canonical SMILES for 6-ethoxy-1-methylsulfonylhexan-3-amine is CCOCCCC(N)CCS(C)(=O)=O.
What is the InChIKey of 6-ethoxy-1-methylsulfonylhexan-3-amine?
The InChIKey is CSRJRRNMBTZRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-13-7-4-5-9(10)6-8-14(2,11)12/h9H,3-8,10H2,1-2H3.
What are the key properties of 6-ethoxy-1-methylsulfonylhexan-3-amine?
6-ethoxy-1-methylsulfonylhexan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methylsulfonylhexan-3-amine is sourced from PubChem (CID 114984300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).