N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine

C11H25NO3S — CID 106513199

IUPACN-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCOCCS(=O)(=O)CCNCCC(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-11(2,3)5-6-12-7-9-16(13,14)10-8-15-4/h12H,5-10H2,1-4H3
InChIKeyNQFHMKBFHHAFNU-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.07
Rot. Bonds8

About N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 106513199) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID106513199
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCOCCS(=O)(=O)CCNCCC(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-11(2,3)5-6-12-7-9-16(13,14)10-8-15-4/h12H,5-10H2,1-4H3
InChIKeyNQFHMKBFHHAFNU-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

2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64646513
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177
6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66001894
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-(3,3-dimethylbutylamino)propane-1-sulfonamide
CID 62950960
5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile
CID 65263083
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine (CID 106513199) is N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine is COCCS(=O)(=O)CCNCCC(C)(C)C.
What is the InChIKey of N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is NQFHMKBFHHAFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-11(2,3)5-6-12-7-9-16(13,14)10-8-15-4/h12H,5-10H2,1-4H3.
What are the key properties of N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-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-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 106513199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).