5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

C12H22N4O2S2 — CID 63945623

IUPAC5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2sc(N)nc2C)C1
InChIInChI=1S/C12H22N4O2S2/c1-4-15(5-2)10-6-7-16(8-10)20(17,18)11-9(3)14-12(13)19-11/h10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyKRJSDROJEZPDGV-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.14
Rot. Bonds5

About 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 63945623) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
PubChem CID63945623
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2sc(N)nc2C)C1
InChIInChI=1S/C12H22N4O2S2/c1-4-15(5-2)10-6-7-16(8-10)20(17,18)11-9(3)14-12(13)19-11/h10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyKRJSDROJEZPDGV-UHFFFAOYSA-N
XLogP1.14
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (CID 63945623) is 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is CCN(CC)C1CCN(S(=O)(=O)c2sc(N)nc2C)C1.
What is the InChIKey of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KRJSDROJEZPDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-4-15(5-2)10-6-7-16(8-10)20(17,18)11-9(3)14-12(13)19-11/h10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 318.47 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63945623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).