(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

C13H24N4O3S — CID 124982113

IUPAC(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCCn1ncc(S(=O)(=O)N2CC[C@@](O)(CN(C)C)C2)c1C
InChIInChI=1S/C13H24N4O3S/c1-5-17-11(2)12(8-14-17)21(19,20)16-7-6-13(18,10-16)9-15(3)4/h8,18H,5-7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyMUWKUTHTCNILIB-CYBMUJFWSA-N
MW316.43 g/mol
LogP-0.10
Rot. Bonds5

About (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 124982113) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID124982113
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCCn1ncc(S(=O)(=O)N2CC[C@@](O)(CN(C)C)C2)c1C
InChIInChI=1S/C13H24N4O3S/c1-5-17-11(2)12(8-14-17)21(19,20)16-7-6-13(18,10-16)9-15(3)4/h8,18H,5-7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyMUWKUTHTCNILIB-CYBMUJFWSA-N
XLogP-0.10
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (CID 124982113) is (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is CCn1ncc(S(=O)(=O)N2CC[C@@](O)(CN(C)C)C2)c1C.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is MUWKUTHTCNILIB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-5-17-11(2)12(8-14-17)21(19,20)16-7-6-13(18,10-16)9-15(3)4/h8,18H,5-7,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 316.43 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 124982113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).