9-methylsulfonylnonan-1-amine

C10H23NO2S — CID 101417644

IUPAC9-methylsulfonylnonan-1-amine
SMILESCS(=O)(=O)CCCCCCCCCN
InChIInChI=1S/C10H23NO2S/c1-14(12,13)10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3
InChIKeyKPWVOGVVWHEBEG-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.72
Rot. Bonds9

About 9-methylsulfonylnonan-1-amine

9-methylsulfonylnonan-1-amine (PubChem CID 101417644) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 9-methylsulfonylnonan-1-amine.

Molecular Properties

Compound Name9-methylsulfonylnonan-1-amine
PubChem CID101417644
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name9-methylsulfonylnonan-1-amine
SMILESCS(=O)(=O)CCCCCCCCCN
InChIInChI=1S/C10H23NO2S/c1-14(12,13)10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3
InChIKeyKPWVOGVVWHEBEG-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

5-ethylsulfonylpentan-1-amine
CID 54172156
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
1-methylsulfonylnonane
CID 19089493
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
butane-1,4-diamine;methanesulfonic acid
CID 160759082
5-butylsulfonylpentan-1-amine
CID 64698649
potassium 5-aminopentane-1-sulfonate
CID 139697240
5-(2-aminoethylsulfonylsulfonyl)pentan-1-amine;dihydrochloride
CID 88753098
N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
CID 63190884
6,6-dimethyl-1-methylsulfonylheptane
CID 157459266
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380

Frequently Asked Questions

What is the IUPAC name of 9-methylsulfonylnonan-1-amine?
The IUPAC name of 9-methylsulfonylnonan-1-amine (CID 101417644) is 9-methylsulfonylnonan-1-amine.
What is the SMILES notation for 9-methylsulfonylnonan-1-amine?
The canonical SMILES for 9-methylsulfonylnonan-1-amine is CS(=O)(=O)CCCCCCCCCN.
What is the InChIKey of 9-methylsulfonylnonan-1-amine?
The InChIKey is KPWVOGVVWHEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-14(12,13)10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3.
What are the key properties of 9-methylsulfonylnonan-1-amine?
9-methylsulfonylnonan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonylnonan-1-amine is sourced from PubChem (CID 101417644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).