2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine

C11H25NO2S — CID 106729782

IUPAC2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCCCC(C)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-6-11(4,9-12)7-8-15(13,14)10(2)3/h10H,5-9,12H2,1-4H3
InChIKeyIDOALPSUAFLWAU-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.96
Rot. Bonds7

About 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine

2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine (PubChem CID 106729782) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
PubChem CID106729782
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCCCC(C)(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-5-6-11(4,9-12)7-8-15(13,14)10(2)3/h10H,5-9,12H2,1-4H3
InChIKeyIDOALPSUAFLWAU-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
CID 106729780
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
4-amino-4-methyl-1-propan-2-ylsulfonylheptan-3-one
CID 106736228
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
4-butan-2-ylsulfonyl-2,2-dimethylbutan-1-amine
CID 65256393
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2-methyl-2-propyldodecan-1-amine
CID 55195079
N',N',2-trimethyl-2-propylbutane-1,4-diamine
CID 167480826
3,3-bis(bromomethyl)-4-methyl-1-propan-2-ylsulfonylpentane
CID 106734912
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
2-methyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The IUPAC name of 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine (CID 106729782) is 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine is CCCC(C)(CN)CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The InChIKey is IDOALPSUAFLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-6-11(4,9-12)7-8-15(13,14)10(2)3/h10H,5-9,12H2,1-4H3.
What are the key properties of 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 106729782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).