2-(2-methylpropylsulfonyl)butan-1-amine

C8H19NO2S — CID 64696769

IUPAC2-(2-methylpropylsulfonyl)butan-1-amine
SMILESCCC(CN)S(=O)(=O)CC(C)C
InChIInChI=1S/C8H19NO2S/c1-4-8(5-9)12(10,11)6-7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyFXFFGJKTTIVUKS-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.79
Rot. Bonds5

About 2-(2-methylpropylsulfonyl)butan-1-amine

2-(2-methylpropylsulfonyl)butan-1-amine (PubChem CID 64696769) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)butan-1-amine
PubChem CID64696769
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-(2-methylpropylsulfonyl)butan-1-amine
SMILESCCC(CN)S(=O)(=O)CC(C)C
InChIInChI=1S/C8H19NO2S/c1-4-8(5-9)12(10,11)6-7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyFXFFGJKTTIVUKS-UHFFFAOYSA-N
XLogP0.79
TPSA60.16 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)butan-1-amine?
The IUPAC name of 2-(2-methylpropylsulfonyl)butan-1-amine (CID 64696769) is 2-(2-methylpropylsulfonyl)butan-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)butan-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfonyl)butan-1-amine is CCC(CN)S(=O)(=O)CC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfonyl)butan-1-amine?
The InChIKey is FXFFGJKTTIVUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-8(5-9)12(10,11)6-7(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 2-(2-methylpropylsulfonyl)butan-1-amine?
2-(2-methylpropylsulfonyl)butan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)butan-1-amine is sourced from PubChem (CID 64696769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).