2-(cyclopropylsulfonylamino)pentanethioamide

C8H16N2O2S2 — CID 64555368

IUPAC2-(cyclopropylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)C1CC1)C(N)=S
InChIInChI=1S/C8H16N2O2S2/c1-2-3-7(8(9)13)10-14(11,12)6-4-5-6/h6-7,10H,2-5H2,1H3,(H2,9,13)
InChIKeyUPDRBQXAPOFUPL-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.52
Rot. Bonds6

About 2-(cyclopropylsulfonylamino)pentanethioamide

2-(cyclopropylsulfonylamino)pentanethioamide (PubChem CID 64555368) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)pentanethioamide
PubChem CID64555368
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name2-(cyclopropylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)C1CC1)C(N)=S
InChIInChI=1S/C8H16N2O2S2/c1-2-3-7(8(9)13)10-14(11,12)6-4-5-6/h6-7,10H,2-5H2,1H3,(H2,9,13)
InChIKeyUPDRBQXAPOFUPL-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.52
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-(cyclopropylsulfonylamino)pentanethioamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)pentanethioamide (CID 64555368) is 2-(cyclopropylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)C1CC1)C(N)=S.
What is the InChIKey of 2-(cyclopropylsulfonylamino)pentanethioamide?
The InChIKey is UPDRBQXAPOFUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-2-3-7(8(9)13)10-14(11,12)6-4-5-6/h6-7,10H,2-5H2,1H3,(H2,9,13).
What are the key properties of 2-(cyclopropylsulfonylamino)pentanethioamide?
2-(cyclopropylsulfonylamino)pentanethioamide has a molecular weight of 236.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)pentanethioamide is sourced from PubChem (CID 64555368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).