N-(2-propan-2-ylsulfonylethyl)propan-2-amine

C8H19NO2S — CID 64675219

IUPACN-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-7(2)9-5-6-12(10,11)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyNRJZWVUJUXJHQD-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.81
Rot. Bonds5

About N-(2-propan-2-ylsulfonylethyl)propan-2-amine

N-(2-propan-2-ylsulfonylethyl)propan-2-amine (PubChem CID 64675219) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)propan-2-amine
PubChem CID64675219
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-7(2)9-5-6-12(10,11)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyNRJZWVUJUXJHQD-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)propan-2-amine (CID 64675219) is N-(2-propan-2-ylsulfonylethyl)propan-2-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)propan-2-amine is CC(C)NCCS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The InChIKey is NRJZWVUJUXJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(2)9-5-6-12(10,11)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
N-(2-propan-2-ylsulfonylethyl)propan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 64675219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).