2-ethyl-2-(propylsulfamoylamino)butanethioamide

C9H21N3O2S2 — CID 114808172

IUPAC2-ethyl-2-(propylsulfamoylamino)butanethioamide
SMILESCCCNS(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-4-7-11-16(13,14)12-9(5-2,6-3)8(10)15/h11-12H,4-7H2,1-3H3,(H2,10,15)
InChIKeyLACXNFJIYCNRDQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.67
Rot. Bonds8

About 2-ethyl-2-(propylsulfamoylamino)butanethioamide

2-ethyl-2-(propylsulfamoylamino)butanethioamide (PubChem CID 114808172) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-ethyl-2-(propylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(propylsulfamoylamino)butanethioamide
PubChem CID114808172
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-ethyl-2-(propylsulfamoylamino)butanethioamide
SMILESCCCNS(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-4-7-11-16(13,14)12-9(5-2,6-3)8(10)15/h11-12H,4-7H2,1-3H3,(H2,10,15)
InChIKeyLACXNFJIYCNRDQ-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.67
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-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide
CID 63688202
2-(Tert-butylsulfonylamino)-2-ethylbutanethioamide
CID 63689729
1-(Propan-2-ylsulfamoylamino)cyclohexane-1-carbothioamide
CID 113637071
2-Ethyl-2-(2-methoxyethylsulfamoylamino)butanethioamide
CID 113638060
2-ethyl-2-N-(propan-2-ylsulfamoyl)butane-1,2-diamine
CID 114803670
2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
CID 114803671

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propylsulfamoylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(propylsulfamoylamino)butanethioamide (CID 114808172) is 2-ethyl-2-(propylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(propylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(propylsulfamoylamino)butanethioamide is CCCNS(=O)(=O)NC(CC)(CC)C(N)=S.
What is the InChIKey of 2-ethyl-2-(propylsulfamoylamino)butanethioamide?
The InChIKey is LACXNFJIYCNRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-4-7-11-16(13,14)12-9(5-2,6-3)8(10)15/h11-12H,4-7H2,1-3H3,(H2,10,15).
What are the key properties of 2-ethyl-2-(propylsulfamoylamino)butanethioamide?
2-ethyl-2-(propylsulfamoylamino)butanethioamide has a molecular weight of 267.42 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).