N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine

C11H25NO3S — CID 107757359

IUPACN-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
SMILESCOCCNCC(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO3S/c1-9(2)11(4)16(13,14)10(3)8-12-6-7-15-5/h9-12H,6-8H2,1-5H3
InChIKeyHADWXGHVTYWEQQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.07
Rot. Bonds8

About N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine

N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine (PubChem CID 107757359) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
PubChem CID107757359
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine
SMILESCOCCNCC(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO3S/c1-9(2)11(4)16(13,14)10(3)8-12-6-7-15-5/h9-12H,6-8H2,1-5H3
InChIKeyHADWXGHVTYWEQQ-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
CID 106513164
2-(3-methylbutan-2-ylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 107757415
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
CID 107757384
N-[2-(2-methoxyethylsulfonyl)propyl]butan-1-amine
CID 106513193
N-(2-methoxyethyl)-4,6-dimethyl-2-propan-2-ylheptan-1-amine
CID 114201247
N-(2-methoxyethyl)-2-propan-2-yloxypropan-1-amine
CID 62567498
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
CID 83039103
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
N-(2-methoxyethyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 62571731

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine (CID 107757359) is N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine is COCCNCC(C)S(=O)(=O)C(C)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine?
The InChIKey is HADWXGHVTYWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-9(2)11(4)16(13,14)10(3)8-12-6-7-15-5/h9-12H,6-8H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine?
N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methylbutan-2-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 107757359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).