2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine

C10H23NO2S — CID 65257088

IUPAC2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
SMILESCC(C)CS(=O)(=O)CCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-9(2)7-14(12,13)6-5-10(3,4)8-11/h9H,5-8,11H2,1-4H3
InChIKeyBLHBSILJEJDLRW-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.43
Rot. Bonds6

About 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine

2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine (PubChem CID 65257088) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
PubChem CID65257088
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
SMILESCC(C)CS(=O)(=O)CCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-9(2)7-14(12,13)6-5-10(3,4)8-11/h9H,5-8,11H2,1-4H3
InChIKeyBLHBSILJEJDLRW-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine (CID 65257088) is 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine is CC(C)CS(=O)(=O)CCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine?
The InChIKey is BLHBSILJEJDLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)7-14(12,13)6-5-10(3,4)8-11/h9H,5-8,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine?
2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine is sourced from PubChem (CID 65257088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).