1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide

C10H16N4O2S2 — CID 62374453

IUPAC1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCn1cnc(S(=O)(=O)NC2(C(N)=S)CCCC2)c1
InChIInChI=1S/C10H16N4O2S2/c1-14-6-8(12-7-14)18(15,16)13-10(9(11)17)4-2-3-5-10/h6-7,13H,2-5H2,1H3,(H2,11,17)
InChIKeyQIAGYZRZGZZOIL-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.30
Rot. Bonds4

About 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide

1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 62374453) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID62374453
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESCn1cnc(S(=O)(=O)NC2(C(N)=S)CCCC2)c1
InChIInChI=1S/C10H16N4O2S2/c1-14-6-8(12-7-14)18(15,16)13-10(9(11)17)4-2-3-5-10/h6-7,13H,2-5H2,1H3,(H2,11,17)
InChIKeyQIAGYZRZGZZOIL-UHFFFAOYSA-N
XLogP0.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.30
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-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 62374453) is 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide is Cn1cnc(S(=O)(=O)NC2(C(N)=S)CCCC2)c1.
What is the InChIKey of 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is QIAGYZRZGZZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-14-6-8(12-7-14)18(15,16)13-10(9(11)17)4-2-3-5-10/h6-7,13H,2-5H2,1H3,(H2,11,17).
What are the key properties of 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide?
1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 288.40 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 62374453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).