2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide

C10H21N3O2S2 — CID 114808330

IUPAC2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCC(C)(C)NS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-10(2,3)13-17(14,15)12-8-6-4-5-7(8)9(11)16/h7-8,12-13H,4-6H2,1-3H3,(H2,11,16)
InChIKeyZVBIUMYYSLSEOP-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.66
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide

2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114808330) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114808330
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCC(C)(C)NS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-10(2,3)13-17(14,15)12-8-6-4-5-7(8)9(11)16/h7-8,12-13H,4-6H2,1-3H3,(H2,11,16)
InChIKeyZVBIUMYYSLSEOP-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113637096
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
2-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 55154044
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 62956960
2-(Propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957303
2-(Ethylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957308
2-(Propylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957467
2-(Methanesulfonamido)cyclopentane-1-carbothioamide
CID 62957625
2-(Butylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957629
2-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 62957633
2-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957635
2-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957639

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114808330) is 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide is CC(C)(C)NS(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is ZVBIUMYYSLSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-10(2,3)13-17(14,15)12-8-6-4-5-7(8)9(11)16/h7-8,12-13H,4-6H2,1-3H3,(H2,11,16).
What are the key properties of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide?
2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 279.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114808330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).