6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine

C13H29NO2S — CID 54914797

IUPAC6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-6-10-14-12(13(3,4)5)9-8-11-17(15,16)7-2/h12,14H,6-11H2,1-5H3
InChIKeyVMCUPAAYNLBCPU-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.62
Rot. Bonds8

About 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine

6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine (PubChem CID 54914797) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine
PubChem CID54914797
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-6-10-14-12(13(3,4)5)9-8-11-17(15,16)7-2/h12,14H,6-11H2,1-5H3
InChIKeyVMCUPAAYNLBCPU-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine?
The IUPAC name of 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine (CID 54914797) is 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine?
The canonical SMILES for 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine is CCCNC(CCCS(=O)(=O)CC)C(C)(C)C.
What is the InChIKey of 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine?
The InChIKey is VMCUPAAYNLBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-6-10-14-12(13(3,4)5)9-8-11-17(15,16)7-2/h12,14H,6-11H2,1-5H3.
What are the key properties of 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine?
6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine has a molecular weight of 263.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2,2-dimethyl-N-propylhexan-3-amine is sourced from PubChem (CID 54914797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).