N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine

C12H27NO2S — CID 106729659

IUPACN-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCCCC(CCS(=O)(=O)C(C)C)CNCC
InChIInChI=1S/C12H27NO2S/c1-5-7-12(10-13-6-2)8-9-16(14,15)11(3)4/h11-13H,5-10H2,1-4H3
InChIKeyVPAHOFRZGGNQSA-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds9

About N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine

N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine (PubChem CID 106729659) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
PubChem CID106729659
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCCCC(CCS(=O)(=O)C(C)C)CNCC
InChIInChI=1S/C12H27NO2S/c1-5-7-12(10-13-6-2)8-9-16(14,15)11(3)4/h11-13H,5-10H2,1-4H3
InChIKeyVPAHOFRZGGNQSA-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729671
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
ethane;N-ethyl-2-propylpentan-1-amine;pentane
CID 143708977
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
N-ethyl-2-propylnonan-1-amine
CID 63498677
1-bromo-2-(propan-2-ylsulfonylmethyl)pentane
CID 65013509
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N,2-diethyl-5-ethylsulfonylpentan-1-amine
CID 65097608
N,2-dipropylpentan-1-amine
CID 62530512
N-ethyl-4-methyl-2-(3-methylsulfonylpropyl)pentan-1-amine
CID 63195970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The IUPAC name of N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine (CID 106729659) is N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine is CCCC(CCS(=O)(=O)C(C)C)CNCC.
What is the InChIKey of N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The InChIKey is VPAHOFRZGGNQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-7-12(10-13-6-2)8-9-16(14,15)11(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 106729659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).