N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine

C16H35NO2S — CID 106730348

IUPACN-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CCS(=O)(=O)C(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C16H35NO2S/c1-13(2)16(9,12-17-14(3,4)5)10-11-20(18,19)15(6,7)8/h13,17H,10-12H2,1-9H3
InChIKeyDDRZWPBBZITHKY-UHFFFAOYSA-N
MW305.53 g/mol
LogP3.64
Rot. Bonds6

About N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine

N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine (PubChem CID 106730348) has the molecular formula C16H35NO2S and a molecular weight of 305.53 g/mol. Its IUPAC name is N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
PubChem CID106730348
Molecular FormulaC16H35NO2S
Molecular Weight305.53 g/mol
Exact Mass305.24
IUPAC NameN-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CCS(=O)(=O)C(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C16H35NO2S/c1-13(2)16(9,12-17-14(3,4)5)10-11-20(18,19)15(6,7)8/h13,17H,10-12H2,1-9H3
InChIKeyDDRZWPBBZITHKY-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106730349
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
N-tert-butyl-2,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83150555
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine
CID 158712760
4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol
CID 106734260
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
CID 106734842
6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
CID 106732369
4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine (CID 106730348) is N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine is CC(C)C(C)(CCS(=O)(=O)C(C)(C)C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is DDRZWPBBZITHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2S/c1-13(2)16(9,12-17-14(3,4)5)10-11-20(18,19)15(6,7)8/h13,17H,10-12H2,1-9H3.
What are the key properties of N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine?
N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 3.64, 6 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-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 106730348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).