N-methyl-1-methylsulfonyldodecan-2-amine

C14H31NO2S — CID 55093567

IUPACN-methyl-1-methylsulfonyldodecan-2-amine
SMILESCCCCCCCCCCC(CS(C)(=O)=O)NC
InChIInChI=1S/C14H31NO2S/c1-4-5-6-7-8-9-10-11-12-14(15-2)13-18(3,16)17/h14-15H,4-13H2,1-3H3
InChIKeyCXDVVGALGIOUAJ-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.15
Rot. Bonds12

About N-methyl-1-methylsulfonyldodecan-2-amine

N-methyl-1-methylsulfonyldodecan-2-amine (PubChem CID 55093567) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyldodecan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyldodecan-2-amine
PubChem CID55093567
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-methyl-1-methylsulfonyldodecan-2-amine
SMILESCCCCCCCCCCC(CS(C)(=O)=O)NC
InChIInChI=1S/C14H31NO2S/c1-4-5-6-7-8-9-10-11-12-14(15-2)13-18(3,16)17/h14-15H,4-13H2,1-3H3
InChIKeyCXDVVGALGIOUAJ-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.15
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-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
CID 115646738
1-methylsulfonyldodecan-2-ylhydrazine
CID 105298419
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methyldecan-3-amine
CID 60996977
N-methyloctadecan-3-amine
CID 150460863
N-methylundecan-4-amine
CID 60996531
1-methylsulfonylhexan-2-ylhydrazine
CID 105293864
N-methyl-1-methylsulfonylheptan-3-amine
CID 79405764
N-undecan-6-ylmethanesulfonamide
CID 54511279
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
1-ethoxy-N-methyltridecan-2-amine
CID 105008040

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyldodecan-2-amine?
The IUPAC name of N-methyl-1-methylsulfonyldodecan-2-amine (CID 55093567) is N-methyl-1-methylsulfonyldodecan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfonyldodecan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfonyldodecan-2-amine is CCCCCCCCCCC(CS(C)(=O)=O)NC.
What is the InChIKey of N-methyl-1-methylsulfonyldodecan-2-amine?
The InChIKey is CXDVVGALGIOUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-4-5-6-7-8-9-10-11-12-14(15-2)13-18(3,16)17/h14-15H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-methylsulfonyldodecan-2-amine?
N-methyl-1-methylsulfonyldodecan-2-amine has a molecular weight of 277.47 g/mol, XLogP of 3.15, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyldodecan-2-amine is sourced from PubChem (CID 55093567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).