N-(2-methylsulfonylethyl)nonan-1-amine

C12H27NO2S — CID 60918921

IUPACN-(2-methylsulfonylethyl)nonan-1-amine
SMILESCCCCCCCCCNCCS(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-3-4-5-6-7-8-9-10-13-11-12-16(2,14)15/h13H,3-12H2,1-2H3
InChIKeyWCMNVCALTRUWMD-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.37
Rot. Bonds11

About N-(2-methylsulfonylethyl)nonan-1-amine

N-(2-methylsulfonylethyl)nonan-1-amine (PubChem CID 60918921) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)nonan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)nonan-1-amine
PubChem CID60918921
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(2-methylsulfonylethyl)nonan-1-amine
SMILESCCCCCCCCCNCCS(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-3-4-5-6-7-8-9-10-13-11-12-16(2,14)15/h13H,3-12H2,1-2H3
InChIKeyWCMNVCALTRUWMD-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.37
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

2-(decylamino)ethanesulfonic acid
CID 13089902
6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
CID 107844608
5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107320276
2-(pentylamino)ethanesulfonamide
CID 43551719
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)nonan-1-amine?
The IUPAC name of N-(2-methylsulfonylethyl)nonan-1-amine (CID 60918921) is N-(2-methylsulfonylethyl)nonan-1-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)nonan-1-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)nonan-1-amine is CCCCCCCCCNCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)nonan-1-amine?
The InChIKey is WCMNVCALTRUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-3-4-5-6-7-8-9-10-13-11-12-16(2,14)15/h13H,3-12H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)nonan-1-amine?
N-(2-methylsulfonylethyl)nonan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)nonan-1-amine is sourced from PubChem (CID 60918921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).