6-amino-1-ethylsulfonylheptan-4-one

C9H19NO3S — CID 116555907

IUPAC6-amino-1-ethylsulfonylheptan-4-one
SMILESCCS(=O)(=O)CCCC(=O)CC(C)N
InChIInChI=1S/C9H19NO3S/c1-3-14(12,13)6-4-5-9(11)7-8(2)10/h8H,3-7,10H2,1-2H3
InChIKeyHGRJMHVXPBMIQN-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.51
Rot. Bonds7

About 6-amino-1-ethylsulfonylheptan-4-one

6-amino-1-ethylsulfonylheptan-4-one (PubChem CID 116555907) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 6-amino-1-ethylsulfonylheptan-4-one.

Molecular Properties

Compound Name6-amino-1-ethylsulfonylheptan-4-one
PubChem CID116555907
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name6-amino-1-ethylsulfonylheptan-4-one
SMILESCCS(=O)(=O)CCCC(=O)CC(C)N
InChIInChI=1S/C9H19NO3S/c1-3-14(12,13)6-4-5-9(11)7-8(2)10/h8H,3-7,10H2,1-2H3
InChIKeyHGRJMHVXPBMIQN-UHFFFAOYSA-N
XLogP0.51
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminooctan-4-one
CID 116555826
6-(aminomethyl)-1-ethylsulfonyloctan-4-one
CID 116596279
2-amino-7-methyloctan-4-one
CID 116555796
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
CID 81189453
6-methyl-1-methylsulfonylheptan-4-one
CID 63192162
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
6-(3-methylbutylsulfonyl)hexan-3-one
CID 107767963
4-amino-1-ethylsulfonylpentan-3-one
CID 106736154
6-propylsulfonylhexan-3-one
CID 106727029
7-ethylsulfonyl-2-methylheptan-3-one
CID 65098289
5-ethylsulfonyl-1-propoxypentan-2-one
CID 65097748
6-ethylsulfonyl-1-propoxyhexan-3-one
CID 105103944

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethylsulfonylheptan-4-one?
The IUPAC name of 6-amino-1-ethylsulfonylheptan-4-one (CID 116555907) is 6-amino-1-ethylsulfonylheptan-4-one.
What is the SMILES notation for 6-amino-1-ethylsulfonylheptan-4-one?
The canonical SMILES for 6-amino-1-ethylsulfonylheptan-4-one is CCS(=O)(=O)CCCC(=O)CC(C)N.
What is the InChIKey of 6-amino-1-ethylsulfonylheptan-4-one?
The InChIKey is HGRJMHVXPBMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-14(12,13)6-4-5-9(11)7-8(2)10/h8H,3-7,10H2,1-2H3.
What are the key properties of 6-amino-1-ethylsulfonylheptan-4-one?
6-amino-1-ethylsulfonylheptan-4-one has a molecular weight of 221.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethylsulfonylheptan-4-one is sourced from PubChem (CID 116555907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).