2-(butylsulfonylamino)cyclopentane-1-carbothioamide

C10H20N2O2S2 — CID 62957629

IUPAC2-(butylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCCCCS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H20N2O2S2/c1-2-3-7-16(13,14)12-9-6-4-5-8(9)10(11)15/h8-9,12H,2-7H2,1H3,(H2,11,15)
InChIKeyOUBCBPUEHJOGPN-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.16
Rot. Bonds6

About 2-(butylsulfonylamino)cyclopentane-1-carbothioamide

2-(butylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 62957629) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(butylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID62957629
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2-(butylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCCCCS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H20N2O2S2/c1-2-3-7-16(13,14)12-9-6-4-5-8(9)10(11)15/h8-9,12H,2-7H2,1H3,(H2,11,15)
InChIKeyOUBCBPUEHJOGPN-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.16
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-(butylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(butylsulfonylamino)cyclopentane-1-carbothioamide (CID 62957629) is 2-(butylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(butylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(butylsulfonylamino)cyclopentane-1-carbothioamide is CCCCS(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-(butylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is OUBCBPUEHJOGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-2-3-7-16(13,14)12-9-6-4-5-8(9)10(11)15/h8-9,12H,2-7H2,1H3,(H2,11,15).
What are the key properties of 2-(butylsulfonylamino)cyclopentane-1-carbothioamide?
2-(butylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 264.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).