2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine

C12H27NO2S — CID 106729780

IUPAC2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-6-7-12(5,10-13)8-9-16(14,15)11(2,3)4/h6-10,13H2,1-5H3
InChIKeyYALZKLZWPMUDKR-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.35
Rot. Bonds6

About 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine

2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine (PubChem CID 106729780) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
PubChem CID106729780
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-6-7-12(5,10-13)8-9-16(14,15)11(2,3)4/h6-10,13H2,1-5H3
InChIKeyYALZKLZWPMUDKR-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
CID 106734842
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
2-methyl-2-propyldodecan-1-amine
CID 55195079
N',N',2-trimethyl-2-propylbutane-1,4-diamine
CID 167480826
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655
2-methyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259708
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine (CID 106729780) is 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine is CCCC(C)(CN)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine?
The InChIKey is YALZKLZWPMUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-7-12(5,10-13)8-9-16(14,15)11(2,3)4/h6-10,13H2,1-5H3.
What are the key properties of 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine?
2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 106729780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).