N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine

C12H27NO2S — CID 107759245

IUPACN-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C12H27NO2S/c1-7-12(13-8-2)11(6)16(14,15)10(5)9(3)4/h9-13H,7-8H2,1-6H3
InChIKeyDYFHXEWCFAIDGU-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds7

About N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine

N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine (PubChem CID 107759245) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine
PubChem CID107759245
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C12H27NO2S/c1-7-12(13-8-2)11(6)16(14,15)10(5)9(3)4/h9-13H,7-8H2,1-6H3
InChIKeyDYFHXEWCFAIDGU-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-pentylsulfonylpentan-3-amine
CID 107758688
3-(ethylamino)pentane-2-thiol
CID 55286178
2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
2-butan-2-ylsulfonyl-N-methylpentan-3-amine
CID 64645279
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835
N-ethyl-2-(4-nitrophenyl)sulfonylpentan-3-amine
CID 64645910
2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64639433
2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645532
N-ethyl-2-(oxolan-2-ylmethylsulfonyl)pentan-3-amine
CID 106496112
2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757377
3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine
CID 79849894
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine (CID 107759245) is N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine is CCNC(CC)C(C)S(=O)(=O)C(C)C(C)C.
What is the InChIKey of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine?
The InChIKey is DYFHXEWCFAIDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-7-12(13-8-2)11(6)16(14,15)10(5)9(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine?
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine is sourced from PubChem (CID 107759245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).