N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine

C14H31NO3S — CID 126654306

IUPACN-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C
InChIInChI=1S/C14H31NO3S/c1-13(2,3)12-18-9-7-10-19(16,17)11-8-15-14(4,5)6/h15H,7-12H2,1-6H3
InChIKeyHBHTWMAFEBOHIV-UHFFFAOYSA-N
MW293.47 g/mol
LogP2.24
Rot. Bonds8

About N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine

N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine (PubChem CID 126654306) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
PubChem CID126654306
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C
InChIInChI=1S/C14H31NO3S/c1-13(2,3)12-18-9-7-10-19(16,17)11-8-15-14(4,5)6/h15H,7-12H2,1-6H3
InChIKeyHBHTWMAFEBOHIV-UHFFFAOYSA-N
XLogP2.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine (CID 126654306) is N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C.
What is the InChIKey of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is HBHTWMAFEBOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-13(2,3)12-18-9-7-10-19(16,17)11-8-15-14(4,5)6/h15H,7-12H2,1-6H3.
What are the key properties of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 293.47 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 126654306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).