N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine

C12H27NO4S — CID 114032839

IUPACN-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
SMILESCCNC(CCCS(=O)(=O)CC)COCCOC
InChIInChI=1S/C12H27NO4S/c1-4-13-12(11-17-9-8-16-3)7-6-10-18(14,15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyOXFCJFTWBMMJCA-UHFFFAOYSA-N
MW281.42 g/mol
LogP0.84
Rot. Bonds12

About N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine

N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine (PubChem CID 114032839) has the molecular formula C12H27NO4S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
PubChem CID114032839
Molecular FormulaC12H27NO4S
Molecular Weight281.42 g/mol
Exact Mass281.17
IUPAC NameN-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
SMILESCCNC(CCCS(=O)(=O)CC)COCCOC
InChIInChI=1S/C12H27NO4S/c1-4-13-12(11-17-9-8-16-3)7-6-10-18(14,15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyOXFCJFTWBMMJCA-UHFFFAOYSA-N
XLogP0.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
CID 64675460
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
N-ethyl-7-ethylsulfonylhept-1-en-4-amine
CID 116660795
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
CID 102928377
N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
CID 114201763
6-(3-methoxypropylsulfonyl)-N-methylhexan-3-amine
CID 106807839
N-ethyl-1-methoxydecan-2-amine
CID 62320563
3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
CID 82721655
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine?
The IUPAC name of N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine (CID 114032839) is N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine is CCNC(CCCS(=O)(=O)CC)COCCOC.
What is the InChIKey of N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine?
The InChIKey is OXFCJFTWBMMJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4S/c1-4-13-12(11-17-9-8-16-3)7-6-10-18(14,15)5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine?
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 0.84, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine is sourced from PubChem (CID 114032839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).