N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide

C9H22N2O2S — CID 60642842

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C9H22N2O2S/c1-6-14(12,13)10-7-9(2,3)8-11(4)5/h10H,6-8H2,1-5H3
InChIKeyBDMQMRBALKEDTF-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.51
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide (PubChem CID 60642842) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide
PubChem CID60642842
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C9H22N2O2S/c1-6-14(12,13)10-7-9(2,3)8-11(4)5/h10H,6-8H2,1-5H3
InChIKeyBDMQMRBALKEDTF-UHFFFAOYSA-N
XLogP0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide (CID 60642842) is N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide is CCS(=O)(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide?
The InChIKey is BDMQMRBALKEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-6-14(12,13)10-7-9(2,3)8-11(4)5/h10H,6-8H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]ethanesulfonamide is sourced from PubChem (CID 60642842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).