3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine

C10H23NO2S — CID 64645825

IUPAC3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine
SMILESCC(C)CS(=O)(=O)CC(N)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)6-14(12,13)7-9(11)10(3,4)5/h8-9H,6-7,11H2,1-5H3
InChIKeyYMTHMSBBGKTRLD-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.43
Rot. Bonds4

About 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine

3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine (PubChem CID 64645825) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine
PubChem CID64645825
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine
SMILESCC(C)CS(=O)(=O)CC(N)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)6-14(12,13)7-9(11)10(3,4)5/h8-9H,6-7,11H2,1-5H3
InChIKeyYMTHMSBBGKTRLD-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine (CID 64645825) is 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine is CC(C)CS(=O)(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine?
The InChIKey is YMTHMSBBGKTRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)6-14(12,13)7-9(11)10(3,4)5/h8-9H,6-7,11H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine?
3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylpropylsulfonyl)butan-2-amine is sourced from PubChem (CID 64645825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).