1-methylsulfonylnonan-3-amine

C10H23NO2S — CID 115848427

IUPAC1-methylsulfonylnonan-3-amine
SMILESCCCCCCC(N)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-3-4-5-6-7-10(11)8-9-14(2,12)13/h10H,3-9,11H2,1-2H3
InChIKeyBYLUTNSTAMOIOJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.72
Rot. Bonds8

About 1-methylsulfonylnonan-3-amine

1-methylsulfonylnonan-3-amine (PubChem CID 115848427) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-methylsulfonylnonan-3-amine.

Molecular Properties

Compound Name1-methylsulfonylnonan-3-amine
PubChem CID115848427
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-methylsulfonylnonan-3-amine
SMILESCCCCCCC(N)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-3-4-5-6-7-10(11)8-9-14(2,12)13/h10H,3-9,11H2,1-2H3
InChIKeyBYLUTNSTAMOIOJ-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyldodecan-3-amine
CID 115848423
pentacosan-13-amine;sulfuric acid
CID 135341364
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
6-ethoxy-1-methylsulfonylhexan-3-amine
CID 114984300
7-(3-methylsulfonylpropyl)tridecane
CID 134251360
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
1-methylsulfonylnonane
CID 19089493
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
4-aminopentadecanal
CID 91108576

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylnonan-3-amine?
The IUPAC name of 1-methylsulfonylnonan-3-amine (CID 115848427) is 1-methylsulfonylnonan-3-amine.
What is the SMILES notation for 1-methylsulfonylnonan-3-amine?
The canonical SMILES for 1-methylsulfonylnonan-3-amine is CCCCCCC(N)CCS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonylnonan-3-amine?
The InChIKey is BYLUTNSTAMOIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-4-5-6-7-10(11)8-9-14(2,12)13/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-methylsulfonylnonan-3-amine?
1-methylsulfonylnonan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylnonan-3-amine is sourced from PubChem (CID 115848427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).