N,2,2-triethyl-4-methylsulfonylbutan-1-amine

C11H25NO2S — CID 62723454

IUPACN,2,2-triethyl-4-methylsulfonylbutan-1-amine
SMILESCCNCC(CC)(CC)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-7-3)8-9-15(4,13)14/h12H,5-10H2,1-4H3
InChIKeyJERVKZZZMBVRLG-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N,2,2-triethyl-4-methylsulfonylbutan-1-amine

N,2,2-triethyl-4-methylsulfonylbutan-1-amine (PubChem CID 62723454) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N,2,2-triethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-4-methylsulfonylbutan-1-amine
PubChem CID62723454
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN,2,2-triethyl-4-methylsulfonylbutan-1-amine
SMILESCCNCC(CC)(CC)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-7-3)8-9-15(4,13)14/h12H,5-10H2,1-4H3
InChIKeyJERVKZZZMBVRLG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 75478254
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CID 97262516
CID 97262516
CID 59452715
CID 59452715
CID 63156497
CID 63156497
CID 75478255
CID 75478255
CID 137935312
CID 137935312
CID 20811828
CID 20811828
CID 20811846
CID 20811846
CID 43807608
CID 43807608
CID 55070787
CID 55070787

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of N,2,2-triethyl-4-methylsulfonylbutan-1-amine (CID 62723454) is N,2,2-triethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N,2,2-triethyl-4-methylsulfonylbutan-1-amine is CCNCC(CC)(CC)CCS(C)(=O)=O.
What is the InChIKey of N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is JERVKZZZMBVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-7-3)8-9-15(4,13)14/h12H,5-10H2,1-4H3.
What are the key properties of N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
N,2,2-triethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).