2-(cyclopropylsulfamoylamino)pentanethioamide

C8H17N3O2S2 — CID 114808134

IUPAC2-(cyclopropylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)NC1CC1)C(N)=S
InChIInChI=1S/C8H17N3O2S2/c1-2-3-7(8(9)14)11-15(12,13)10-6-4-5-6/h6-7,10-11H,2-5H2,1H3,(H2,9,14)
InChIKeyNADZTHZTAJVZNB-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.03
Rot. Bonds7

About 2-(cyclopropylsulfamoylamino)pentanethioamide

2-(cyclopropylsulfamoylamino)pentanethioamide (PubChem CID 114808134) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)pentanethioamide
PubChem CID114808134
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name2-(cyclopropylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)NC1CC1)C(N)=S
InChIInChI=1S/C8H17N3O2S2/c1-2-3-7(8(9)14)11-15(12,13)10-6-4-5-6/h6-7,10-11H,2-5H2,1H3,(H2,9,14)
InChIKeyNADZTHZTAJVZNB-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.03
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-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454057
2-[[Methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
3-[[Methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 62652373
2-(Tert-butylsulfonylamino)pentanethioamide
CID 63689354
2-Cyclopropyl-2-(diethylsulfamoylamino)ethanethioamide
CID 64419858
2-(Tert-butylsulfonylamino)-2-cyclopropylethanethioamide
CID 64420283
2-Cyclopropyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 64420491
5-[[Methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 64421819
2-(Cyclopropylsulfonylamino)pentanethioamide
CID 64555368
2-(Cyclopropylmethylsulfonylamino)pentanethioamide
CID 64987216

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)pentanethioamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)pentanethioamide (CID 114808134) is 2-(cyclopropylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)pentanethioamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)pentanethioamide is CCCC(NS(=O)(=O)NC1CC1)C(N)=S.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)pentanethioamide?
The InChIKey is NADZTHZTAJVZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-2-3-7(8(9)14)11-15(12,13)10-6-4-5-6/h6-7,10-11H,2-5H2,1H3,(H2,9,14).
What are the key properties of 2-(cyclopropylsulfamoylamino)pentanethioamide?
2-(cyclopropylsulfamoylamino)pentanethioamide has a molecular weight of 251.38 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 114808134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).