N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine

C9H21NO2S — CID 106512791

IUPACN-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
SMILESCCS(=O)(=O)C(C)CNC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-13(11,12)8(2)7-10-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyCVMZOIZFQWIUQT-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.20
Rot. Bonds4

About N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine

N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine (PubChem CID 106512791) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
PubChem CID106512791
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
SMILESCCS(=O)(=O)C(C)CNC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-13(11,12)8(2)7-10-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyCVMZOIZFQWIUQT-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)propyl]propan-2-amine
CID 107757384
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine
CID 81015107
4-butan-2-ylsulfonyl-N-tert-butylbutan-1-amine
CID 106512726
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
N-(2-butan-2-ylsulfonylpropyl)-2-methylbutan-2-amine
CID 106512750
N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62422187
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
CID 65097386
3-(tert-butylamino)-2-fluoropropane-1-sulfonic acid
CID 58692024
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376
1-(tert-butylamino)propan-2-ol;formic acid
CID 158906125

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine (CID 106512791) is N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine is CCS(=O)(=O)C(C)CNC(C)(C)C.
What is the InChIKey of N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine?
The InChIKey is CVMZOIZFQWIUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-13(11,12)8(2)7-10-9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine?
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 106512791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).