1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol

C7H16N2O3S — CID 103355767

IUPAC1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C7H16N2O3S/c1-7(10)2-4-9(6-7)13(11,12)5-3-8/h10H,2-6,8H2,1H3
InChIKeyPBOUAIBWVLNXKM-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.27
Rot. Bonds3

About 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol

1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol (PubChem CID 103355767) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol
PubChem CID103355767
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C7H16N2O3S/c1-7(10)2-4-9(6-7)13(11,12)5-3-8/h10H,2-6,8H2,1H3
InChIKeyPBOUAIBWVLNXKM-UHFFFAOYSA-N
XLogP-1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol (CID 103355767) is 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)CCN)C1.
What is the InChIKey of 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol?
The InChIKey is PBOUAIBWVLNXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(10)2-4-9(6-7)13(11,12)5-3-8/h10H,2-6,8H2,1H3.
What are the key properties of 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol?
1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol has a molecular weight of 208.28 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).