3,3-dimethyl-1-methylsulfinylbutan-2-amine

C7H17NOS — CID 64655614

IUPAC3,3-dimethyl-1-methylsulfinylbutan-2-amine
SMILESCS(=O)CC(N)C(C)(C)C
InChIInChI=1S/C7H17NOS/c1-7(2,3)6(8)5-10(4)9/h6H,5,8H2,1-4H3
InChIKeyKLNZHYNJMRFGCV-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.74
Rot. Bonds2

About 3,3-dimethyl-1-methylsulfinylbutan-2-amine

3,3-dimethyl-1-methylsulfinylbutan-2-amine (PubChem CID 64655614) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-methylsulfinylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-methylsulfinylbutan-2-amine
PubChem CID64655614
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name3,3-dimethyl-1-methylsulfinylbutan-2-amine
SMILESCS(=O)CC(N)C(C)(C)C
InChIInChI=1S/C7H17NOS/c1-7(2,3)6(8)5-10(4)9/h6H,5,8H2,1-4H3
InChIKeyKLNZHYNJMRFGCV-UHFFFAOYSA-N
XLogP0.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-methylsulfinylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-methylsulfinylbutan-2-amine (CID 64655614) is 3,3-dimethyl-1-methylsulfinylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-methylsulfinylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-methylsulfinylbutan-2-amine is CS(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-methylsulfinylbutan-2-amine?
The InChIKey is KLNZHYNJMRFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(2,3)6(8)5-10(4)9/h6H,5,8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-methylsulfinylbutan-2-amine?
3,3-dimethyl-1-methylsulfinylbutan-2-amine has a molecular weight of 163.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-methylsulfinylbutan-2-amine is sourced from PubChem (CID 64655614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).