1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide

C10H21N3O2S2 — CID 54947200

IUPAC1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H21N3O2S2/c1-8(2)13(3)17(14,15)12-10(9(11)16)6-4-5-7-10/h8,12H,4-7H2,1-3H3,(H2,11,16)
InChIKeyGGEUPLYXGSBGDG-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.76
Rot. Bonds5

About 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide

1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide (PubChem CID 54947200) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
PubChem CID54947200
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H21N3O2S2/c1-8(2)13(3)17(14,15)12-10(9(11)16)6-4-5-7-10/h8,12H,4-7H2,1-3H3,(H2,11,16)
InChIKeyGGEUPLYXGSBGDG-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide (CID 54947200) is 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide is CC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
The InChIKey is GGEUPLYXGSBGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-8(2)13(3)17(14,15)12-10(9(11)16)6-4-5-7-10/h8,12H,4-7H2,1-3H3,(H2,11,16).
What are the key properties of 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide has a molecular weight of 279.43 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 54947200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).