3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide

C11H25N3O2S2 — CID 114808235

IUPAC3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
SMILESCC(C)CN(CCC(N)=S)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H25N3O2S2/c1-9(2)8-14(7-6-10(12)17)18(15,16)13-11(3,4)5/h9,13H,6-8H2,1-5H3,(H2,12,17)
InChIKeyCDPBJZIUEJIWNM-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.25
Rot. Bonds7

About 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide

3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide (PubChem CID 114808235) has the molecular formula C11H25N3O2S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
PubChem CID114808235
Molecular FormulaC11H25N3O2S2
Molecular Weight295.47 g/mol
Exact Mass295.14
IUPAC Name3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
SMILESCC(C)CN(CCC(N)=S)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H25N3O2S2/c1-9(2)8-14(7-6-10(12)17)18(15,16)13-11(3,4)5/h9,13H,6-8H2,1-5H3,(H2,12,17)
InChIKeyCDPBJZIUEJIWNM-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]amino]-2-methylpropane
CID 107483602
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
3-[2-methylpropyl(1H-pyrazol-5-ylsulfonyl)amino]propanethioamide
CID 102691182
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide
CID 114808224
propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
CID 114467490
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114805577
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54998440
3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
CID 114808211
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 82104144
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide?
The IUPAC name of 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide (CID 114808235) is 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide.
What is the SMILES notation for 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide?
The canonical SMILES for 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide is CC(C)CN(CCC(N)=S)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide?
The InChIKey is CDPBJZIUEJIWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S2/c1-9(2)8-14(7-6-10(12)17)18(15,16)13-11(3,4)5/h9,13H,6-8H2,1-5H3,(H2,12,17).
What are the key properties of 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide?
3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide has a molecular weight of 295.47 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide is sourced from PubChem (CID 114808235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).