2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide

C10H21N3O2S2 — CID 62957633

IUPAC2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCCN(CC)S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-3-13(4-2)17(14,15)12-9-7-5-6-8(9)10(11)16/h8-9,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyANZJFYDMZSOVDI-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.62
Rot. Bonds6

About 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide

2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 62957633) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID62957633
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCCN(CC)S(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-3-13(4-2)17(14,15)12-9-7-5-6-8(9)10(11)16/h8-9,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyANZJFYDMZSOVDI-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(diethylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide (CID 62957633) is 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide is CCN(CC)S(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is ANZJFYDMZSOVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-3-13(4-2)17(14,15)12-9-7-5-6-8(9)10(11)16/h8-9,12H,3-7H2,1-2H3,(H2,11,16).
What are the key properties of 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide?
2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 279.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).