1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide

C12H20N4O2S2 — CID 62061579

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C12H20N4O2S2/c1-8-10(9(2)16(3)14-8)20(17,18)15-12(11(13)19)6-4-5-7-12/h15H,4-7H2,1-3H3,(H2,13,19)
InChIKeyZUCSNNYQFVOVBA-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.91
Rot. Bonds4

About 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide

1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 62061579) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID62061579
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C12H20N4O2S2/c1-8-10(9(2)16(3)14-8)20(17,18)15-12(11(13)19)6-4-5-7-12/h15H,4-7H2,1-3H3,(H2,13,19)
InChIKeyZUCSNNYQFVOVBA-UHFFFAOYSA-N
XLogP0.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 62061579) is 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is ZUCSNNYQFVOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-8-10(9(2)16(3)14-8)20(17,18)15-12(11(13)19)6-4-5-7-12/h15H,4-7H2,1-3H3,(H2,13,19).
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 316.45 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 62061579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).