1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine

C8H20N2O2S — CID 91528667

IUPAC1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)S(=O)(=O)CCN
InChIInChI=1S/C8H20N2O2S/c1-3-4-5-8(10-2)13(11,12)7-6-9/h8,10H,3-7,9H2,1-2H3
InChIKeyJJNZOHHPLFKXQQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.10
Rot. Bonds7

About 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine

1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine (PubChem CID 91528667) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine
PubChem CID91528667
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)S(=O)(=O)CCN
InChIInChI=1S/C8H20N2O2S/c1-3-4-5-8(10-2)13(11,12)7-6-9/h8,10H,3-7,9H2,1-2H3
InChIKeyJJNZOHHPLFKXQQ-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine (CID 91528667) is 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine is CCCCC(NC)S(=O)(=O)CCN.
What is the InChIKey of 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine?
The InChIKey is JJNZOHHPLFKXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-4-5-8(10-2)13(11,12)7-6-9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine?
1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine is sourced from PubChem (CID 91528667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).