N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine

C11H25NO2S — CID 106729692

IUPACN,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCNCC(CC)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-11(9-12-6-2)7-8-15(13,14)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyLKFYVEQFCGLLBM-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine

N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106729692) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106729692
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCCNCC(CC)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-11(9-12-6-2)7-8-15(13,14)10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyLKFYVEQFCGLLBM-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

N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729659
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
N,2-diethyl-5-ethylsulfonylpentan-1-amine
CID 65097608
N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729671
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 62516582
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
N,2-diethylhexan-1-amine
CID 14272988
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
N-ethyl-4-methyl-2-(3-methylsulfonylpropyl)pentan-1-amine
CID 63195970
N-(2-ethylbutyl)propane-2-sulfonamide
CID 115613314

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106729692) is N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine is CCNCC(CC)CCS(=O)(=O)C(C)C.
What is the InChIKey of N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is LKFYVEQFCGLLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(9-12-6-2)7-8-15(13,14)10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine?
N,2-diethyl-4-propan-2-ylsulfonylbutan-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-diethyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106729692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).