N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine

C13H29NO2S — CID 62530526

IUPACN-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
SMILESCCS(=O)(=O)CCC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C13H29NO2S/c1-7-17(15,16)9-8-12(11(2)3)10-14-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyWFUGOTDZWDXLDA-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.47
Rot. Bonds7

About N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine

N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine (PubChem CID 62530526) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
PubChem CID62530526
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
SMILESCCS(=O)(=O)CCC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C13H29NO2S/c1-7-17(15,16)9-8-12(11(2)3)10-14-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyWFUGOTDZWDXLDA-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81015107
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CID 65097386
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
CID 106729682
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
CID 106512791
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
N-tert-butyl-3-methyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323157
N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 83138361
2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
CID 107757384
N-tert-butyl-2-ethyl-3-methylhexan-1-amine
CID 107897145
N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
CID 63522223
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine (CID 62530526) is N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine is CCS(=O)(=O)CCC(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine?
The InChIKey is WFUGOTDZWDXLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-7-17(15,16)9-8-12(11(2)3)10-14-13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine?
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 62530526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).