[(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol

C14H24N4O3S — CID 164641604

IUPAC[(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)C[C@@H]1CO
InChIInChI=1S/C14H24N4O3S/c1-16-6-7-17(9-13(16)11-19)22(20,21)14-8-15-18(10-14)12-4-2-3-5-12/h8,10,12-13,19H,2-7,9,11H2,1H3/t13-/m1/s1
InChIKeyHQWNZUBNEHYLNT-CYBMUJFWSA-N
MW328.44 g/mol
LogP0.30
Rot. Bonds4

About [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol

[(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol (PubChem CID 164641604) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol
PubChem CID164641604
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name[(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)C[C@@H]1CO
InChIInChI=1S/C14H24N4O3S/c1-16-6-7-17(9-13(16)11-19)22(20,21)14-8-15-18(10-14)12-4-2-3-5-12/h8,10,12-13,19H,2-7,9,11H2,1H3/t13-/m1/s1
InChIKeyHQWNZUBNEHYLNT-CYBMUJFWSA-N
XLogP0.30
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol (CID 164641604) is [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol is CN1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)C[C@@H]1CO.
What is the InChIKey of [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol?
The InChIKey is HQWNZUBNEHYLNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-16-6-7-17(9-13(16)11-19)22(20,21)14-8-15-18(10-14)12-4-2-3-5-12/h8,10,12-13,19H,2-7,9,11H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol?
[(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol has a molecular weight of 328.44 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(1-cyclopentylpyrazol-4-yl)sulfonyl-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 164641604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).