N,N-dimethyl-2-propan-2-ylsulfonylethanamine

C7H17NO2S — CID 58841988

IUPACN,N-dimethyl-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCN(C)C
InChIInChI=1S/C7H17NO2S/c1-7(2)11(9,10)6-5-8(3)4/h7H,5-6H2,1-4H3
InChIKeyPIAVUKYAQFLZDI-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.37
Rot. Bonds4

About N,N-dimethyl-2-propan-2-ylsulfonylethanamine

N,N-dimethyl-2-propan-2-ylsulfonylethanamine (PubChem CID 58841988) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-ylsulfonylethanamine
PubChem CID58841988
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,N-dimethyl-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCN(C)C
InChIInChI=1S/C7H17NO2S/c1-7(2)11(9,10)6-5-8(3)4/h7H,5-6H2,1-4H3
InChIKeyPIAVUKYAQFLZDI-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-ylsulfonylethanamine?
The IUPAC name of N,N-dimethyl-2-propan-2-ylsulfonylethanamine (CID 58841988) is N,N-dimethyl-2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for N,N-dimethyl-2-propan-2-ylsulfonylethanamine?
The canonical SMILES for N,N-dimethyl-2-propan-2-ylsulfonylethanamine is CC(C)S(=O)(=O)CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-propan-2-ylsulfonylethanamine?
The InChIKey is PIAVUKYAQFLZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)11(9,10)6-5-8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-propan-2-ylsulfonylethanamine?
N,N-dimethyl-2-propan-2-ylsulfonylethanamine has a molecular weight of 179.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 58841988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).