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

C10H21N3O2S2 — CID 62956960

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
SMILESCC(C)N(C)S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-7(2)13(3)17(14,15)12-9-6-4-5-8(9)10(11)16/h7-9,12H,4-6H2,1-3H3,(H2,11,16)
InChIKeyXGZNIWNCBXMDAL-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.62
Rot. Bonds5

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

2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide (PubChem CID 62956960) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
PubChem CID62956960
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
SMILESCC(C)N(C)S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-7(2)13(3)17(14,15)12-9-6-4-5-8(9)10(11)16/h7-9,12H,4-6H2,1-3H3,(H2,11,16)
InChIKeyXGZNIWNCBXMDAL-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide (CID 62956960) is 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide is CC(C)N(C)S(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
The InChIKey is XGZNIWNCBXMDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-7(2)13(3)17(14,15)12-9-6-4-5-8(9)10(11)16/h7-9,12H,4-6H2,1-3H3,(H2,11,16).
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide?
2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide has a molecular weight of 279.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 62956960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).